N-(4-methylsulfanylcyclohexyl)benzamide

C14H19NOS — CID 114124420

IUPACN-(4-methylsulfanylcyclohexyl)benzamide
SMILESCSC1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19NOS/c1-17-13-9-7-12(8-10-13)15-14(16)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,15,16)
InChIKeyZWUFUPWOSCKWQF-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.09
Rot. Bonds3

About N-(4-methylsulfanylcyclohexyl)benzamide

N-(4-methylsulfanylcyclohexyl)benzamide (PubChem CID 114124420) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(4-methylsulfanylcyclohexyl)benzamide.

Molecular Properties

Compound NameN-(4-methylsulfanylcyclohexyl)benzamide
PubChem CID114124420
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-(4-methylsulfanylcyclohexyl)benzamide
SMILESCSC1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19NOS/c1-17-13-9-7-12(8-10-13)15-14(16)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,15,16)
InChIKeyZWUFUPWOSCKWQF-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylcyclohexyl)benzamide?
The IUPAC name of N-(4-methylsulfanylcyclohexyl)benzamide (CID 114124420) is N-(4-methylsulfanylcyclohexyl)benzamide.
What is the SMILES notation for N-(4-methylsulfanylcyclohexyl)benzamide?
The canonical SMILES for N-(4-methylsulfanylcyclohexyl)benzamide is CSC1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-(4-methylsulfanylcyclohexyl)benzamide?
The InChIKey is ZWUFUPWOSCKWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-17-13-9-7-12(8-10-13)15-14(16)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,15,16).
What are the key properties of N-(4-methylsulfanylcyclohexyl)benzamide?
N-(4-methylsulfanylcyclohexyl)benzamide has a molecular weight of 249.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylcyclohexyl)benzamide is sourced from PubChem (CID 114124420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).