2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide

C11H19N3O2S2 — CID 113478168

IUPAC2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NC(C)CCSC
InChIInChI=1S/C11H19N3O2S2/c1-9(6-8-17-3)14-18(15,16)10-5-4-7-13-11(10)12-2/h4-5,7,9,14H,6,8H2,1-3H3,(H,12,13)
InChIKeyNMBQFKZAPXESAU-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.54
Rot. Bonds7

About 2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide

2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 113478168) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID113478168
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NC(C)CCSC
InChIInChI=1S/C11H19N3O2S2/c1-9(6-8-17-3)14-18(15,16)10-5-4-7-13-11(10)12-2/h4-5,7,9,14H,6,8H2,1-3H3,(H,12,13)
InChIKeyNMBQFKZAPXESAU-UHFFFAOYSA-N
XLogP1.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115641407
2-cyano-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 106546133
N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151364
N-methyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62159401
N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 63925751
2-(ethylamino)-N-octan-2-ylpyridine-3-sulfonamide
CID 63473663
2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62151211
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939
N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 63995591
3-cyano-2-fluoro-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 136571325
2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106217947

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide (CID 113478168) is 2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)NC(C)CCSC.
What is the InChIKey of 2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is NMBQFKZAPXESAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-9(6-8-17-3)14-18(15,16)10-5-4-7-13-11(10)12-2/h4-5,7,9,14H,6,8H2,1-3H3,(H,12,13).
What are the key properties of 2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 289.43 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 113478168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).