N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide

C10H23N3O2S — CID 61124369

IUPACN-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H23N3O2S/c1-10(2,9-11)12-16(14,15)13-7-5-3-4-6-8-13/h12H,3-9,11H2,1-2H3
InChIKeyPBLHYUZHJISVPQ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.43
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide

N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide (PubChem CID 61124369) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide
PubChem CID61124369
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H23N3O2S/c1-10(2,9-11)12-16(14,15)13-7-5-3-4-6-8-13/h12H,3-9,11H2,1-2H3
InChIKeyPBLHYUZHJISVPQ-UHFFFAOYSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminobutyl)azepane-1-sulfonamide
CID 63251227
N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide
CID 86814102
N-[(2S)-1-aminohexan-2-yl]azepane-1-sulfonamide
CID 99628716
N-methylazepane-1-sulfonamide
CID 28784575
N-Butylazepane-1-sulfonamide
CID 71367847
N-(5-methylhexyl)azepane-1-sulfonamide
CID 167070520
1-[Butyl(tert-butylsulfamoyl)amino]pentane
CID 169963895
N-(2-aminoethyl)azepane-1-sulfonamide
CID 28783149
N-(3-aminopropyl)-N-methylazepane-1-sulfonamide
CID 28783233
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide
CID 28940482
N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide
CID 28940520

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide (CID 61124369) is N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide is CC(C)(CN)NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide?
The InChIKey is PBLHYUZHJISVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-10(2,9-11)12-16(14,15)13-7-5-3-4-6-8-13/h12H,3-9,11H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)azepane-1-sulfonamide is sourced from PubChem (CID 61124369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).