1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide

C15H22N2O3S — CID 2975931

IUPAC1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)17-11-5-8-14(12-17)15(18)16-10-9-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,16,18)
InChIKeyDYSNKJNFAQYWRY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.02
Rot. Bonds5

About 1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide

1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 2975931) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID2975931
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)17-11-5-8-14(12-17)15(18)16-10-9-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,16,18)
InChIKeyDYSNKJNFAQYWRY-UHFFFAOYSA-N
XLogP1.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide (CID 2975931) is 1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1.
What is the InChIKey of 1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is DYSNKJNFAQYWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21(19,20)17-11-5-8-14(12-17)15(18)16-10-9-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,16,18).
What are the key properties of 1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2975931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).