1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine

C10H21N3O2S — CID 43210462

IUPAC1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine
SMILESNC1CCCN1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H21N3O2S/c11-10-6-5-9-13(10)16(14,15)12-7-3-1-2-4-8-12/h10H,1-9,11H2
InChIKeyGWVMAWRKUWAMBY-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.49
Rot. Bonds2

About 1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine

1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine (PubChem CID 43210462) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine
PubChem CID43210462
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine
SMILESNC1CCCN1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H21N3O2S/c11-10-6-5-9-13(10)16(14,15)12-7-3-1-2-4-8-12/h10H,1-9,11H2
InChIKeyGWVMAWRKUWAMBY-UHFFFAOYSA-N
XLogP0.49
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine?
The IUPAC name of 1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine (CID 43210462) is 1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine is NC1CCCN1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine?
The InChIKey is GWVMAWRKUWAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c11-10-6-5-9-13(10)16(14,15)12-7-3-1-2-4-8-12/h10H,1-9,11H2.
What are the key properties of 1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine?
1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine has a molecular weight of 247.36 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-ylsulfonyl)pyrrolidin-2-amine is sourced from PubChem (CID 43210462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).