1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C12H22N2O4S — CID 2942924

IUPAC1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C12H22N2O4S/c1-19(16,17)14-6-4-10(5-7-14)12(15)13-9-11-3-2-8-18-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyFLGJKROIBWSTFW-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.05
Rot. Bonds4

About 1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2942924) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2942924
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C12H22N2O4S/c1-19(16,17)14-6-4-10(5-7-14)12(15)13-9-11-3-2-8-18-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyFLGJKROIBWSTFW-UHFFFAOYSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide 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-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 2942924) is 1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FLGJKROIBWSTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-19(16,17)14-6-4-10(5-7-14)12(15)13-9-11-3-2-8-18-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2942924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).