N-(4-aminobutyl)azepane-1-sulfonamide

C10H23N3O2S — CID 60894333

IUPACN-(4-aminobutyl)azepane-1-sulfonamide
SMILESNCCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H23N3O2S/c11-7-3-4-8-12-16(14,15)13-9-5-1-2-6-10-13/h12H,1-11H2
InChIKeyQEHLPCVZXRJPQV-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.44
Rot. Bonds6

About N-(4-aminobutyl)azepane-1-sulfonamide

N-(4-aminobutyl)azepane-1-sulfonamide (PubChem CID 60894333) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(4-aminobutyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)azepane-1-sulfonamide
PubChem CID60894333
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-(4-aminobutyl)azepane-1-sulfonamide
SMILESNCCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H23N3O2S/c11-7-3-4-8-12-16(14,15)13-9-5-1-2-6-10-13/h12H,1-11H2
InChIKeyQEHLPCVZXRJPQV-UHFFFAOYSA-N
XLogP0.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)azepane-1-sulfonamide?
The IUPAC name of N-(4-aminobutyl)azepane-1-sulfonamide (CID 60894333) is N-(4-aminobutyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)azepane-1-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)azepane-1-sulfonamide is NCCCCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(4-aminobutyl)azepane-1-sulfonamide?
The InChIKey is QEHLPCVZXRJPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c11-7-3-4-8-12-16(14,15)13-9-5-1-2-6-10-13/h12H,1-11H2.
What are the key properties of N-(4-aminobutyl)azepane-1-sulfonamide?
N-(4-aminobutyl)azepane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)azepane-1-sulfonamide is sourced from PubChem (CID 60894333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).