bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide)

C111H191N29O20S10 — CID 159017900

IUPACbis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide)
SMILESCC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1nccnc1N(C)S(C)(=O)=O
InChIInChI=1S/2C12H20N2O2S.7C11H19N3O2S.C10H18N4O2S/c2*1-10(2)13-9-11-7-5-6-8-12(11)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;2*1-9(2)13-8-10-11(6-5-7-12-10)14(3)17(4,15)16;3*1-9(2)13-8-10-6-5-7-12-11(10)14(3)17(4,15)16;1-8(2)13-7-9-10(12-6-5-11-9)14(3)17(4,15)16/h2*5-8,10,13H,9H2,1-4H3;7*5-7,9,13H,8H2,1-4H3;5-6,8,13H,7H2,1-4H3
InChIKeyJTHYZJFRODLNGB-UHFFFAOYSA-N
MW2572.60 g/mol
LogP10.36
Rot. Bonds50

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

bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide) (PubChem CID 159017900) has the molecular formula C111H191N29O20S10 and a molecular weight of 2572.60 g/mol. Its IUPAC name is bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide).

Molecular Properties

Compound Namebis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide)
PubChem CID159017900
Molecular FormulaC111H191N29O20S10
Molecular Weight2572.60 g/mol
Exact Mass2570.20
IUPAC Namebis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide)
SMILESCC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1nccnc1N(C)S(C)(=O)=O
InChIInChI=1S/2C12H20N2O2S.7C11H19N3O2S.C10H18N4O2S/c2*1-10(2)13-9-11-7-5-6-8-12(11)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;2*1-9(2)13-8-10-11(6-5-7-12-10)14(3)17(4,15)16;3*1-9(2)13-8-10-6-5-7-12-11(10)14(3)17(4,15)16;1-8(2)13-7-9-10(12-6-5-11-9)14(3)17(4,15)16/h2*5-8,10,13H,9H2,1-4H3;7*5-7,9,13H,8H2,1-4H3;5-6,8,13H,7H2,1-4H3
InChIKeyJTHYZJFRODLNGB-UHFFFAOYSA-N
XLogP10.36
TPSA610.11 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds50
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002572.60
LogP ≤ 510.36
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

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

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Frequently Asked Questions

What is the IUPAC name of bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide)?
The IUPAC name of bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide) (CID 159017900) is bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide).
What is the SMILES notation for bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide)?
The canonical SMILES for bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide) is CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1ccccc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cccnc1N(C)S(C)(=O)=O.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1cnccc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1ncccc1N(C)S(C)(=O)=O.CC(C)NCc1nccnc1N(C)S(C)(=O)=O.
What is the InChIKey of bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide)?
The InChIKey is JTHYZJFRODLNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20N2O2S.7C11H19N3O2S.C10H18N4O2S/c2*1-10(2)13-9-11-7-5-6-8-12(11)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;2*1-9(2)13-8-10-11(6-5-7-12-10)14(3)17(4,15)16;3*1-9(2)13-8-10-6-5-7-12-11(10)14(3)17(4,15)16;1-8(2)13-7-9-10(12-6-5-11-9)14(3)17(4,15)16/h2*5-8,10,13H,9H2,1-4H3;7*5-7,9,13H,8H2,1-4H3;5-6,8,13H,7H2,1-4H3.
What are the key properties of bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide)?
bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide) has a molecular weight of 2572.60 g/mol, XLogP of 10.36, 50 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide);N-methyl-N-[3-[(propan-2-ylamino)methyl]pyrazin-2-yl]methanesulfonamide;bis(N-methyl-N-[2-[(propan-2-ylamino)methyl]-3-pyridinyl]methanesulfonamide);tris(N-methyl-N-[3-[(propan-2-ylamino)methyl]-2-pyridinyl]methanesulfonamide);bis(N-methyl-N-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]methanesulfonamide) is sourced from PubChem (CID 159017900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).