N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine

C20H32N2O2S — CID 24732698

IUPACN-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
SMILESCS(=O)(=O)c1ccccc1CN1CCC(NC2CCCCCC2)CC1
InChIInChI=1S/C20H32N2O2S/c1-25(23,24)20-11-7-6-8-17(20)16-22-14-12-19(13-15-22)21-18-9-4-2-3-5-10-18/h6-8,11,18-19,21H,2-5,9-10,12-16H2,1H3
InChIKeyNUYOKRFHYWUXGD-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.37
Rot. Bonds5

About N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine

N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine (PubChem CID 24732698) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
PubChem CID24732698
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC NameN-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
SMILESCS(=O)(=O)c1ccccc1CN1CCC(NC2CCCCCC2)CC1
InChIInChI=1S/C20H32N2O2S/c1-25(23,24)20-11-7-6-8-17(20)16-22-14-12-19(13-15-22)21-18-9-4-2-3-5-10-18/h6-8,11,18-19,21H,2-5,9-10,12-16H2,1H3
InChIKeyNUYOKRFHYWUXGD-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-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 N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine (CID 24732698) is N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine is CS(=O)(=O)c1ccccc1CN1CCC(NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The InChIKey is NUYOKRFHYWUXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-25(23,24)20-11-7-6-8-17(20)16-22-14-12-19(13-15-22)21-18-9-4-2-3-5-10-18/h6-8,11,18-19,21H,2-5,9-10,12-16H2,1H3.
What are the key properties of N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine has a molecular weight of 364.56 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 24732698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).