2-(azepan-1-ylsulfonylamino)acetamide

C8H17N3O3S — CID 60713634

IUPAC2-(azepan-1-ylsulfonylamino)acetamide
SMILESNC(=O)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H17N3O3S/c9-8(12)7-10-15(13,14)11-5-3-1-2-4-6-11/h10H,1-7H2,(H2,9,12)
InChIKeySIEBQMFQYNYIFD-UHFFFAOYSA-N
MW235.31 g/mol
LogP-0.82
Rot. Bonds4

About 2-(azepan-1-ylsulfonylamino)acetamide

2-(azepan-1-ylsulfonylamino)acetamide (PubChem CID 60713634) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(azepan-1-ylsulfonylamino)acetamide.

Molecular Properties

Compound Name2-(azepan-1-ylsulfonylamino)acetamide
PubChem CID60713634
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name2-(azepan-1-ylsulfonylamino)acetamide
SMILESNC(=O)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H17N3O3S/c9-8(12)7-10-15(13,14)11-5-3-1-2-4-6-11/h10H,1-7H2,(H2,9,12)
InChIKeySIEBQMFQYNYIFD-UHFFFAOYSA-N
XLogP-0.82
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethylazepane-1-sulfonamide
CID 43213421
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 55102000
N-(methylaminomethyl)piperidine-1-sulfonamide
CID 117126231
2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide
CID 76953279
1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312118
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
N-[(2-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 64910982
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylsulfonylamino)acetamide?
The IUPAC name of 2-(azepan-1-ylsulfonylamino)acetamide (CID 60713634) is 2-(azepan-1-ylsulfonylamino)acetamide.
What is the SMILES notation for 2-(azepan-1-ylsulfonylamino)acetamide?
The canonical SMILES for 2-(azepan-1-ylsulfonylamino)acetamide is NC(=O)CNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylsulfonylamino)acetamide?
The InChIKey is SIEBQMFQYNYIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c9-8(12)7-10-15(13,14)11-5-3-1-2-4-6-11/h10H,1-7H2,(H2,9,12).
What are the key properties of 2-(azepan-1-ylsulfonylamino)acetamide?
2-(azepan-1-ylsulfonylamino)acetamide has a molecular weight of 235.31 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylsulfonylamino)acetamide is sourced from PubChem (CID 60713634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).