1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide

C15H21NOS — CID 141389454

IUPAC1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide
SMILESCc1ccc(SCC2(C(N)=O)CCCCC2)cc1
InChIInChI=1S/C15H21NOS/c1-12-5-7-13(8-6-12)18-11-15(14(16)17)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3,(H2,16,17)
InChIKeyAWQASVMPIDNUNM-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.52
Rot. Bonds4

About 1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide

1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide (PubChem CID 141389454) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide
PubChem CID141389454
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide
SMILESCc1ccc(SCC2(C(N)=O)CCCCC2)cc1
InChIInChI=1S/C15H21NOS/c1-12-5-7-13(8-6-12)18-11-15(14(16)17)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3,(H2,16,17)
InChIKeyAWQASVMPIDNUNM-UHFFFAOYSA-N
XLogP3.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide (CID 141389454) is 1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide is Cc1ccc(SCC2(C(N)=O)CCCCC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide?
The InChIKey is AWQASVMPIDNUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12-5-7-13(8-6-12)18-11-15(14(16)17)9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3,(H2,16,17).
What are the key properties of 1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide?
1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide has a molecular weight of 263.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 141389454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).