[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine

C12H24N2O2S — CID 55241784

IUPAC[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c13-9-12-7-4-8-14(12)17(15,16)10-11-5-2-1-3-6-11/h11-12H,1-10,13H2
InChIKeyNOLMMTDEEIYXPN-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.32
Rot. Bonds4

About [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine

[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine (PubChem CID 55241784) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine
PubChem CID55241784
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c13-9-12-7-4-8-14(12)17(15,16)10-11-5-2-1-3-6-11/h11-12H,1-10,13H2
InChIKeyNOLMMTDEEIYXPN-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine 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-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine (CID 55241784) is [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine is NCC1CCCN1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine?
The InChIKey is NOLMMTDEEIYXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c13-9-12-7-4-8-14(12)17(15,16)10-11-5-2-1-3-6-11/h11-12H,1-10,13H2.
What are the key properties of [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine?
[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine has a molecular weight of 260.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 55241784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).