4-(azepan-1-ylsulfonyl)butan-1-amine

C10H22N2O2S — CID 28704736

IUPAC4-(azepan-1-ylsulfonyl)butan-1-amine
SMILESNCCCCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H22N2O2S/c11-7-3-6-10-15(13,14)12-8-4-1-2-5-9-12/h1-11H2
InChIKeyVSXKEJUZWDJEHA-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.93
Rot. Bonds5

About 4-(azepan-1-ylsulfonyl)butan-1-amine

4-(azepan-1-ylsulfonyl)butan-1-amine (PubChem CID 28704736) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)butan-1-amine.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)butan-1-amine
PubChem CID28704736
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name4-(azepan-1-ylsulfonyl)butan-1-amine
SMILESNCCCCS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H22N2O2S/c11-7-3-6-10-15(13,14)12-8-4-1-2-5-9-12/h1-11H2
InChIKeyVSXKEJUZWDJEHA-UHFFFAOYSA-N
XLogP0.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
CID 4599987
2-(azepan-1-ylsulfonyl)ethanamine
CID 22692377
6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
CID 67176093
5-(azepan-1-ylsulfonyl)pentanenitrile
CID 28704816
4-(4-propan-2-ylpiperidin-1-yl)sulfonylbutan-1-amine
CID 103495198
1-(3-bromopropylsulfonyl)pyrrolidine
CID 170985713
3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine
CID 63159425
5-(azepan-1-ylsulfonyl)pentanoyl chloride
CID 28704871
4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine
CID 62205256
4-(4-butan-2-ylpiperazin-1-yl)sulfonylbutan-1-amine
CID 62774468
3-(4-cyclopentylpiperazin-1-yl)sulfonylpropan-1-amine
CID 62368792
3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine
CID 62936725

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)butan-1-amine?
The IUPAC name of 4-(azepan-1-ylsulfonyl)butan-1-amine (CID 28704736) is 4-(azepan-1-ylsulfonyl)butan-1-amine.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)butan-1-amine?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)butan-1-amine is NCCCCS(=O)(=O)N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)butan-1-amine?
The InChIKey is VSXKEJUZWDJEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c11-7-3-6-10-15(13,14)12-8-4-1-2-5-9-12/h1-11H2.
What are the key properties of 4-(azepan-1-ylsulfonyl)butan-1-amine?
4-(azepan-1-ylsulfonyl)butan-1-amine has a molecular weight of 234.36 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)butan-1-amine is sourced from PubChem (CID 28704736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).