N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide

C15H28N2O3S — CID 3241429

IUPACN-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C15H28N2O3S/c1-21(19,20)17-11-7-8-13(12-17)15(18)16-14-9-5-3-2-4-6-10-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyBKQMBPORDWAANM-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.89
Rot. Bonds3

About N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide

N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 3241429) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID3241429
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC NameN-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C15H28N2O3S/c1-21(19,20)17-11-7-8-13(12-17)15(18)16-14-9-5-3-2-4-6-10-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyBKQMBPORDWAANM-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide (CID 3241429) is N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NC2CCCCCCC2)C1.
What is the InChIKey of N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is BKQMBPORDWAANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-21(19,20)17-11-7-8-13(12-17)15(18)16-14-9-5-3-2-4-6-10-14/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide?
N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3241429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).