N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide

C152H264N44O28S14 — CID 158908340

IUPACN-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide
SMILESCC(C)NCc1cccc(N(C)S(C)(=O)=O)c1.CC(C)NCc1cccc(N(C)S(C)(=O)=O)n1.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1ccnc(N(C)S(C)(=O)=O)c1.CC(C)NCc1ccncc1N(C)S(C)(=O)=O.CC(C)NCc1ccnnc1N(C)S(C)(=O)=O.CC(C)NCc1cncc(N(C)S(C)(=O)=O)c1.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1cncnc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1nccnc1N(C)S(C)(=O)=O.CC(C)NCc1ncncc1N(C)S(C)(=O)=O
InChIInChI=1S/2C12H20N2O2S.8C11H19N3O2S.4C10H18N4O2S/c1-10(2)13-9-11-6-5-7-12(8-11)14(3)17(4,15)16;1-10(2)13-9-11-7-5-6-8-12(11)14(3)17(4,15)16;1-9(2)13-7-10-5-11(8-12-6-10)14(3)17(4,15)16;2*1-9(2)13-8-10-7-12-6-5-11(10)14(3)17(4,15)16;1-9(2)13-7-10-5-6-12-8-11(10)14(3)17(4,15)16;1-9(2)13-8-10-5-6-12-11(7-10)14(3)17(4,15)16;1-9(2)13-8-10-11(6-5-7-12-10)14(3)17(4,15)16;1-9(2)13-8-10-6-5-7-12-11(10)14(3)17(4,15)16;1-9(2)12-8-10-6-5-7-11(13-10)14(3)17(4,15)16;1-8(2)12-5-9-10(6-11-7-13-9)14(3)17(4,15)16;1-8(2)12-6-9-5-11-7-13-10(9)14(3)17(4,15)16;1-8(2)13-7-9-10(12-6-5-11-9)14(3)17(4,15)16;1-8(2)11-7-9-5-6-12-13-10(9)14(3)17(4,15)16/h2*5-8,10,13H,9H2,1-4H3;5-6,8-9,13H,7H2,1-4H3;2*5-7,9,13H,8H2,1-4H3;5-6,8-9,13H,7H2,1-4H3;3*5-7,9,13H,8H2,1-4H3;5-7,9,12H,8H2,1-4H3;6-8,12H,5H2,1-4H3;5,7-8,12H,6H2,1-4H3;5-6,8,13H,7H2,1-4H3;5-6,8,11H,7H2,1-4H3
InChIKeyJGIDWMPBBNBSSZ-UHFFFAOYSA-N
MW3605.00 g/mol
LogP12.45
Rot. Bonds70

About N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide

N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide (PubChem CID 158908340) has the molecular formula C152H264N44O28S14 and a molecular weight of 3605.00 g/mol. Its IUPAC name is N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide
PubChem CID158908340
Molecular FormulaC152H264N44O28S14
Molecular Weight3605.00 g/mol
Exact Mass3601.67
IUPAC NameN-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide
SMILESCC(C)NCc1cccc(N(C)S(C)(=O)=O)c1.CC(C)NCc1cccc(N(C)S(C)(=O)=O)n1.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1ccnc(N(C)S(C)(=O)=O)c1.CC(C)NCc1ccncc1N(C)S(C)(=O)=O.CC(C)NCc1ccnnc1N(C)S(C)(=O)=O.CC(C)NCc1cncc(N(C)S(C)(=O)=O)c1.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1cncnc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1nccnc1N(C)S(C)(=O)=O.CC(C)NCc1ncncc1N(C)S(C)(=O)=O
InChIInChI=1S/2C12H20N2O2S.8C11H19N3O2S.4C10H18N4O2S/c1-10(2)13-9-11-6-5-7-12(8-11)14(3)17(4,15)16;1-10(2)13-9-11-7-5-6-8-12(11)14(3)17(4,15)16;1-9(2)13-7-10-5-11(8-12-6-10)14(3)17(4,15)16;2*1-9(2)13-8-10-7-12-6-5-11(10)14(3)17(4,15)16;1-9(2)13-7-10-5-6-12-8-11(10)14(3)17(4,15)16;1-9(2)13-8-10-5-6-12-11(7-10)14(3)17(4,15)16;1-9(2)13-8-10-11(6-5-7-12-10)14(3)17(4,15)16;1-9(2)13-8-10-6-5-7-12-11(10)14(3)17(4,15)16;1-9(2)12-8-10-6-5-7-11(13-10)14(3)17(4,15)16;1-8(2)12-5-9-10(6-11-7-13-9)14(3)17(4,15)16;1-8(2)12-6-9-5-11-7-13-10(9)14(3)17(4,15)16;1-8(2)13-7-9-10(12-6-5-11-9)14(3)17(4,15)16;1-8(2)11-7-9-5-6-12-13-10(9)14(3)17(4,15)16/h2*5-8,10,13H,9H2,1-4H3;5-6,8-9,13H,7H2,1-4H3;2*5-7,9,13H,8H2,1-4H3;5-6,8-9,13H,7H2,1-4H3;3*5-7,9,13H,8H2,1-4H3;5-7,9,12H,8H2,1-4H3;6-8,12H,5H2,1-4H3;5,7-8,12H,6H2,1-4H3;5-6,8,13H,7H2,1-4H3;5-6,8,11H,7H2,1-4H3
InChIKeyJGIDWMPBBNBSSZ-UHFFFAOYSA-N
XLogP12.45
TPSA897.98 Ų
H-Bond Donors14
H-Bond Acceptors58
Rotatable Bonds70
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003605.00
LogP ≤ 512.45
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1058

Analyze N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide (CID 158908340) is N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide is CC(C)NCc1cccc(N(C)S(C)(=O)=O)c1.CC(C)NCc1cccc(N(C)S(C)(=O)=O)n1.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1ccnc(N(C)S(C)(=O)=O)c1.CC(C)NCc1ccncc1N(C)S(C)(=O)=O.CC(C)NCc1ccnnc1N(C)S(C)(=O)=O.CC(C)NCc1cncc(N(C)S(C)(=O)=O)c1.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1cncnc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1nccnc1N(C)S(C)(=O)=O.CC(C)NCc1ncncc1N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide?
The InChIKey is JGIDWMPBBNBSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20N2O2S.8C11H19N3O2S.4C10H18N4O2S/c1-10(2)13-9-11-6-5-7-12(8-11)14(3)17(4,15)16;1-10(2)13-9-11-7-5-6-8-12(11)14(3)17(4,15)16;1-9(2)13-7-10-5-11(8-12-6-10)14(3)17(4,15)16;2*1-9(2)13-8-10-7-12-6-5-11(10)14(3)17(4,15)16;1-9(2)13-7-10-5-6-12-8-11(10)14(3)17(4,15)16;1-9(2)13-8-10-5-6-12-11(7-10)14(3)17(4,15)16;1-9(2)13-8-10-11(6-5-7-12-10)14(3)17(4,15)16;1-9(2)13-8-10-6-5-7-12-11(10)14(3)17(4,15)16;1-9(2)12-8-10-6-5-7-11(13-10)14(3)17(4,15)16;1-8(2)12-5-9-10(6-11-7-13-9)14(3)17(4,15)16;1-8(2)12-6-9-5-11-7-13-10(9)14(3)17(4,15)16;1-8(2)13-7-9-10(12-6-5-11-9)14(3)17(4,15)16;1-8(2)11-7-9-5-6-12-13-10(9)14(3)17(4,15)16/h2*5-8,10,13H,9H2,1-4H3;5-6,8-9,13H,7H2,1-4H3;2*5-7,9,13H,8H2,1-4H3;5-6,8-9,13H,7H2,1-4H3;3*5-7,9,13H,8H2,1-4H3;5-7,9,12H,8H2,1-4H3;6-8,12H,5H2,1-4H3;5,7-8,12H,6H2,1-4H3;5-6,8,13H,7H2,1-4H3;5-6,8,11H,7H2,1-4H3.
What are the key properties of N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide?
N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide has a molecular weight of 3605.00 g/mol, XLogP of 12.45, 70 rotatable bonds, 14 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyridazin-3-yl]methanesulfonamide;N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide);N-methyl-N-[4-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide;N-methyl-N-[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide;N-methyl-N-[4-[(propan-2-ylamino)methyl]pyrimidin-5-yl]methanesulfonamide;N-methyl-N-[5-[(propan-2-ylamino)methyl]pyrimidin-4-yl]methanesulfonamide is sourced from PubChem (CID 158908340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).