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

C17H26N2O2S — CID 24732703

IUPACN-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
SMILESCS(=O)(=O)c1ccccc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H26N2O2S/c1-22(20,21)17-5-3-2-4-15(17)13-19-10-8-16(9-11-19)18-12-14-6-7-14/h2-5,14,16,18H,6-13H2,1H3
InChIKeyIYYYDLOAWLNPJN-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.05
Rot. Bonds6

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

N-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine (PubChem CID 24732703) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
PubChem CID24732703
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
SMILESCS(=O)(=O)c1ccccc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H26N2O2S/c1-22(20,21)17-5-3-2-4-15(17)13-19-10-8-16(9-11-19)18-12-14-6-7-14/h2-5,14,16,18H,6-13H2,1H3
InChIKeyIYYYDLOAWLNPJN-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine (CID 24732703) is N-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine is CS(=O)(=O)c1ccccc1CN1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The InChIKey is IYYYDLOAWLNPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-22(20,21)17-5-3-2-4-15(17)13-19-10-8-16(9-11-19)18-12-14-6-7-14/h2-5,14,16,18H,6-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine has a molecular weight of 322.47 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 24732703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).