N-(2-methylsulfinylcyclohexyl)benzamide

C14H19NO2S — CID 134570678

IUPACN-(2-methylsulfinylcyclohexyl)benzamide
SMILESCS(=O)C1CCCCC1NC(=O)c1ccccc1
InChIInChI=1S/C14H19NO2S/c1-18(17)13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3,(H,15,16)
InChIKeyDTZQSYWPKYNIMG-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.11
Rot. Bonds3

About N-(2-methylsulfinylcyclohexyl)benzamide

N-(2-methylsulfinylcyclohexyl)benzamide (PubChem CID 134570678) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(2-methylsulfinylcyclohexyl)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfinylcyclohexyl)benzamide
PubChem CID134570678
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(2-methylsulfinylcyclohexyl)benzamide
SMILESCS(=O)C1CCCCC1NC(=O)c1ccccc1
InChIInChI=1S/C14H19NO2S/c1-18(17)13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3,(H,15,16)
InChIKeyDTZQSYWPKYNIMG-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylcyclohexyl)benzamide?
The IUPAC name of N-(2-methylsulfinylcyclohexyl)benzamide (CID 134570678) is N-(2-methylsulfinylcyclohexyl)benzamide.
What is the SMILES notation for N-(2-methylsulfinylcyclohexyl)benzamide?
The canonical SMILES for N-(2-methylsulfinylcyclohexyl)benzamide is CS(=O)C1CCCCC1NC(=O)c1ccccc1.
What is the InChIKey of N-(2-methylsulfinylcyclohexyl)benzamide?
The InChIKey is DTZQSYWPKYNIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-18(17)13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3,(H,15,16).
What are the key properties of N-(2-methylsulfinylcyclohexyl)benzamide?
N-(2-methylsulfinylcyclohexyl)benzamide has a molecular weight of 265.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylcyclohexyl)benzamide is sourced from PubChem (CID 134570678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).