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

C20H32N2O2S — CID 24732697

IUPACN-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
SMILESCS(=O)(=O)c1ccccc1CN1CCC(NCC2CCCCC2)CC1
InChIInChI=1S/C20H32N2O2S/c1-25(23,24)20-10-6-5-9-18(20)16-22-13-11-19(12-14-22)21-15-17-7-3-2-4-8-17/h5-6,9-10,17,19,21H,2-4,7-8,11-16H2,1H3
InChIKeyUORFKHXXHBREPC-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.22
Rot. Bonds6

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

N-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine (PubChem CID 24732697) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
PubChem CID24732697
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC NameN-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
SMILESCS(=O)(=O)c1ccccc1CN1CCC(NCC2CCCCC2)CC1
InChIInChI=1S/C20H32N2O2S/c1-25(23,24)20-10-6-5-9-18(20)16-22-13-11-19(12-14-22)21-15-17-7-3-2-4-8-17/h5-6,9-10,17,19,21H,2-4,7-8,11-16H2,1H3
InChIKeyUORFKHXXHBREPC-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine (CID 24732697) is N-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine is CS(=O)(=O)c1ccccc1CN1CCC(NCC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The InChIKey is UORFKHXXHBREPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-25(23,24)20-10-6-5-9-18(20)16-22-13-11-19(12-14-22)21-15-17-7-3-2-4-8-17/h5-6,9-10,17,19,21H,2-4,7-8,11-16H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
N-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine has a molecular weight of 364.56 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 24732697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).