1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide

C17H28N2O3S — CID 42952137

IUPAC1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CC3CC2C2CCCC32)CC1
InChIInChI=1S/C17H28N2O3S/c1-23(21,22)19-7-5-11(6-8-19)17(20)18-16-10-12-9-15(16)14-4-2-3-13(12)14/h11-16H,2-10H2,1H3,(H,18,20)
InChIKeyXYYAIXLLEWWDRA-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.60
Rot. Bonds3

About 1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide (PubChem CID 42952137) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
PubChem CID42952137
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2CC3CC2C2CCCC32)CC1
InChIInChI=1S/C17H28N2O3S/c1-23(21,22)19-7-5-11(6-8-19)17(20)18-16-10-12-9-15(16)14-4-2-3-13(12)14/h11-16H,2-10H2,1H3,(H,18,20)
InChIKeyXYYAIXLLEWWDRA-UHFFFAOYSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide (CID 42952137) is 1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2CC3CC2C2CCCC32)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide?
The InChIKey is XYYAIXLLEWWDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-23(21,22)19-7-5-11(6-8-19)17(20)18-16-10-12-9-15(16)14-4-2-3-13(12)14/h11-16H,2-10H2,1H3,(H,18,20).
What are the key properties of 1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide is sourced from PubChem (CID 42952137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).