N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide

C12H21N3O2S — CID 106065488

IUPACN-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCc1cnccc1NS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C12H21N3O2S/c1-9(2)14-8-11(4)18(16,17)15-12-5-6-13-7-10(12)3/h5-7,9,11,14H,8H2,1-4H3,(H,13,15)
InChIKeyMEUCCXOVMVTZBY-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.52
Rot. Bonds6

About N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106065488) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106065488
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCc1cnccc1NS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C12H21N3O2S/c1-9(2)14-8-11(4)18(16,17)15-12-5-6-13-7-10(12)3/h5-7,9,11,14H,8H2,1-4H3,(H,13,15)
InChIKeyMEUCCXOVMVTZBY-UHFFFAOYSA-N
XLogP1.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106061222
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
2-[(3-methyl-4-pyridinyl)sulfamoyl]acetic acid
CID 63671711
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
N-(2-chloropropyl)-3-methylpyridin-4-amine
CID 65027865
N-(2-bromo-4-chlorophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073470
1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide
CID 114142279
N-[2-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]propyl]ethanesulfonamide
CID 131945504
N-(4-methoxy-3-methylphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106053288
N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073981
3-(methylamino)-N-(3-methyl-4-pyridinyl)propane-1-sulfonamide
CID 106065507
N-(2-bromo-5-methoxyphenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106067184

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106065488) is N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide is Cc1cnccc1NS(=O)(=O)C(C)CNC(C)C.
What is the InChIKey of N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is MEUCCXOVMVTZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)14-8-11(4)18(16,17)15-12-5-6-13-7-10(12)3/h5-7,9,11,14H,8H2,1-4H3,(H,13,15).
What are the key properties of N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106065488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).