N-(3-aminopropyl)-N-methylazepane-1-sulfonamide

C10H23N3O2S — CID 28783233

IUPACN-(3-aminopropyl)-N-methylazepane-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H23N3O2S/c1-12(8-6-7-11)16(14,15)13-9-4-2-3-5-10-13/h2-11H2,1H3
InChIKeyYBMVBWCFKBIXKV-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.39
Rot. Bonds5

About N-(3-aminopropyl)-N-methylazepane-1-sulfonamide

N-(3-aminopropyl)-N-methylazepane-1-sulfonamide (PubChem CID 28783233) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methylazepane-1-sulfonamide
PubChem CID28783233
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-(3-aminopropyl)-N-methylazepane-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H23N3O2S/c1-12(8-6-7-11)16(14,15)13-9-4-2-3-5-10-13/h2-11H2,1H3
InChIKeyYBMVBWCFKBIXKV-UHFFFAOYSA-N
XLogP0.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-aminopropyl)-N-methylazepane-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-[(2S)-1-aminohexan-2-yl]azepane-1-sulfonamide
CID 99628716
1-(Dibutylsulfamoylamino)hexane
CID 134984427
N-(3-amino-2,2-difluoropropyl)azepane-1-sulfonamide
CID 113577788
3-fluoro-N-methylazepane-1-sulfonamide
CID 126994099
N-(2-methyl-3-piperidin-1-ylpropyl)azepane-1-sulfonamide
CID 45916265
Azepane-1-sulfonic acid dimethylamide
CID 4069524
N-methylazepane-1-sulfonamide
CID 28784575
1-Pyrrolidin-1-ylsulfonylazepan-4-amine
CID 69823372
N-Butylazepane-1-sulfonamide
CID 71367847
6-Aminohexyl(butyl)sulfamic acid
CID 88834066
4-(Sulfamoylamino)azepane
CID 107172753

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methylazepane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-methylazepane-1-sulfonamide (CID 28783233) is N-(3-aminopropyl)-N-methylazepane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methylazepane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-methylazepane-1-sulfonamide is CN(CCCN)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-methylazepane-1-sulfonamide?
The InChIKey is YBMVBWCFKBIXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-12(8-6-7-11)16(14,15)13-9-4-2-3-5-10-13/h2-11H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methylazepane-1-sulfonamide?
N-(3-aminopropyl)-N-methylazepane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methylazepane-1-sulfonamide is sourced from PubChem (CID 28783233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).