N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide

C15H20N2OS — CID 106827308

IUPACN-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2ccccc2C(N)=S)CCCCC1
InChIInChI=1S/C15H20N2OS/c1-15(9-5-2-6-10-15)14(18)17-12-8-4-3-7-11(12)13(16)19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,16,19)(H,17,18)
InChIKeyDNWSYNSAVQCDRF-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.23
Rot. Bonds3

About N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide

N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106827308) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106827308
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2ccccc2C(N)=S)CCCCC1
InChIInChI=1S/C15H20N2OS/c1-15(9-5-2-6-10-15)14(18)17-12-8-4-3-7-11(12)13(16)19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,16,19)(H,17,18)
InChIKeyDNWSYNSAVQCDRF-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.23
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

1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477465
2-[(1-methyl-4-propan-2-ylcyclohexanecarbonyl)amino]benzamide
CID 140535571
[2-[(1-methylcyclohexanecarbonyl)amino]phenyl]sulfanylformic acid
CID 166817254
S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 1-methylcyclohexane-1-carbothioate
CID 22956219
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 28624302
5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163
N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide
CID 106826466
5-fluoro-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826165

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide (CID 106827308) is N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2ccccc2C(N)=S)CCCCC1.
What is the InChIKey of N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is DNWSYNSAVQCDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(9-5-2-6-10-15)14(18)17-12-8-4-3-7-11(12)13(16)19/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide?
N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106827308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).