1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide

C18H30N2O3S — CID 71146744

IUPAC1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CC[C@@H]3CC4CC2[C@H](C4)C3)CC1
InChIInChI=1S/C18H30N2O3S/c1-24(22,23)20-6-4-14(5-7-20)18(21)19-17-3-2-12-8-13-10-15(9-12)16(17)11-13/h12-17H,2-11H2,1H3,(H,19,21)/t12-,13?,15+,16?,17?/m1/s1
InChIKeyIVLSZICOEIRLSX-FYARVMEMSA-N
MW354.52 g/mol
LogP1.99
Rot. Bonds3

About 1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide (PubChem CID 71146744) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
PubChem CID71146744
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CC[C@@H]3CC4CC2[C@H](C4)C3)CC1
InChIInChI=1S/C18H30N2O3S/c1-24(22,23)20-6-4-14(5-7-20)18(21)19-17-3-2-12-8-13-10-15(9-12)16(17)11-13/h12-17H,2-11H2,1H3,(H,19,21)/t12-,13?,15+,16?,17?/m1/s1
InChIKeyIVLSZICOEIRLSX-FYARVMEMSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]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-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide (CID 71146744) is 1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CC[C@@H]3CC4CC2[C@H](C4)C3)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
The InChIKey is IVLSZICOEIRLSX-FYARVMEMSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-24(22,23)20-6-4-14(5-7-20)18(21)19-17-3-2-12-8-13-10-15(9-12)16(17)11-13/h12-17H,2-11H2,1H3,(H,19,21)/t12-,13?,15+,16?,17?/m1/s1.
What are the key properties of 1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide has a molecular weight of 354.52 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(7R,9S)-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide is sourced from PubChem (CID 71146744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).