2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide

C13H22N4O2S — CID 133351386

IUPAC2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1NCCN1CCCCCC1
InChIInChI=1S/C13H22N4O2S/c14-20(18,19)12-6-5-7-15-13(12)16-8-11-17-9-3-1-2-4-10-17/h5-7H,1-4,8-11H2,(H,15,16)(H2,14,18,19)
InChIKeyOKEKDNSIWGILLK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.02
Rot. Bonds5

About 2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide

2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide (PubChem CID 133351386) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
PubChem CID133351386
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1NCCN1CCCCCC1
InChIInChI=1S/C13H22N4O2S/c14-20(18,19)12-6-5-7-15-13(12)16-8-11-17-9-3-1-2-4-10-17/h5-7H,1-4,8-11H2,(H,15,16)(H2,14,18,19)
InChIKeyOKEKDNSIWGILLK-UHFFFAOYSA-N
XLogP1.02
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 114598691
N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine
CID 83064744
2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide
CID 133434864
3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 63209352
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474
2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide
CID 133326821
3-chloro-N-(2-pyrrolidin-1-ylethyl)pyrazin-2-amine
CID 62634309
2-N-(2-morpholin-4-ylethyl)pyridine-2,3-diamine
CID 14417721
3-(1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 142652425

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide?
The IUPAC name of 2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide (CID 133351386) is 2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1NCCN1CCCCCC1.
What is the InChIKey of 2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide?
The InChIKey is OKEKDNSIWGILLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c14-20(18,19)12-6-5-7-15-13(12)16-8-11-17-9-3-1-2-4-10-17/h5-7H,1-4,8-11H2,(H,15,16)(H2,14,18,19).
What are the key properties of 2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide?
2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133351386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).