N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide

C15H25N3O2S — CID 113015936

IUPACN-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C15H25N3O2S/c1-2-3-12-21(19,20)17-14-8-9-15(16-13-14)18-10-6-4-5-7-11-18/h8-9,13,17H,2-7,10-12H2,1H3
InChIKeyRKIJMRQYMVPVGM-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.00
Rot. Bonds6

About N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide

N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide (PubChem CID 113015936) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
PubChem CID113015936
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C15H25N3O2S/c1-2-3-12-21(19,20)17-14-8-9-15(16-13-14)18-10-6-4-5-7-11-18/h8-9,13,17H,2-7,10-12H2,1H3
InChIKeyRKIJMRQYMVPVGM-UHFFFAOYSA-N
XLogP3.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 116815598
4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid
CID 43708063
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015557
N-(6-piperidin-1-ylpyridazin-3-yl)butane-1-sulfonamide
CID 113039015
N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 90608258
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113011044
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113021072
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
CID 113014317
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606

Frequently Asked Questions

What is the IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide (CID 113015936) is N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is RKIJMRQYMVPVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-3-12-21(19,20)17-14-8-9-15(16-13-14)18-10-6-4-5-7-11-18/h8-9,13,17H,2-7,10-12H2,1H3.
What are the key properties of N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide?
N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113015936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).