6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide

C14H24N4O2S — CID 133351391

IUPAC6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCN2CCCCCC2)nc1
InChIInChI=1S/C14H24N4O2S/c1-15-21(19,20)13-6-7-14(17-12-13)16-8-11-18-9-4-2-3-5-10-18/h6-7,12,15H,2-5,8-11H2,1H3,(H,16,17)
InChIKeyXNMAXYXHKWLWAA-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.28
Rot. Bonds6

About 6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide

6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide (PubChem CID 133351391) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide
PubChem CID133351391
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCN2CCCCCC2)nc1
InChIInChI=1S/C14H24N4O2S/c1-15-21(19,20)13-6-7-14(17-12-13)16-8-11-18-9-4-2-3-5-10-18/h6-7,12,15H,2-5,8-11H2,1H3,(H,16,17)
InChIKeyXNMAXYXHKWLWAA-UHFFFAOYSA-N
XLogP1.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
6-(2-morpholin-4-ylethylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 57402324
2-[[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]sulfonyl]benzamide
CID 176878991
6-(2-piperazin-1-ylethylamino)pyridine-3-sulfonamide
CID 43607786
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide
CID 106327013
N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide
CID 133304084
N-methyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-sulfonamide
CID 133316598
N-methyl-6-[[(3S)-1-propylpyrrolidin-3-yl]methylamino]pyridine-3-sulfonamide
CID 97119107
6-[2-(4-methylpiperidin-1-yl)ethylamino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 55827762
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 55680935
6-(methylamino)-N-piperidin-1-ylpyridine-3-sulfonamide
CID 83023083
5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931

Frequently Asked Questions

What is the IUPAC name of 6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide (CID 133351391) is 6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCCN2CCCCCC2)nc1.
What is the InChIKey of 6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide?
The InChIKey is XNMAXYXHKWLWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-15-21(19,20)13-6-7-14(17-12-13)16-8-11-18-9-4-2-3-5-10-18/h6-7,12,15H,2-5,8-11H2,1H3,(H,16,17).
What are the key properties of 6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide?
6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133351391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).