N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide

C15H20N2OS — CID 107805800

IUPACN-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
SMILESCc1cccc(NC(=O)C2CCCCC2)c1C(N)=S
InChIInChI=1S/C15H20N2OS/c1-10-6-5-9-12(13(10)14(16)19)17-15(18)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyKXAXUMBPGXELBS-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.15
Rot. Bonds3

About N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide

N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide (PubChem CID 107805800) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
PubChem CID107805800
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
SMILESCc1cccc(NC(=O)C2CCCCC2)c1C(N)=S
InChIInChI=1S/C15H20N2OS/c1-10-6-5-9-12(13(10)14(16)19)17-15(18)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyKXAXUMBPGXELBS-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-carbamothioyl-3-methylphenyl)-4,4-difluorocyclohexane-1-carboxamide
CID 107805571
(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
CID 43580877
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
N-(2-amino-6-methylphenyl)cyclohexanecarboxamide
CID 43152327
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 107800886
N-[(2-methylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 797213
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146152
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119285186

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide (CID 107805800) is N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide is Cc1cccc(NC(=O)C2CCCCC2)c1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide?
The InChIKey is KXAXUMBPGXELBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-6-5-9-12(13(10)14(16)19)17-15(18)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide?
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide has a molecular weight of 276.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 107805800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).