N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide

C15H20N2OS — CID 62971005

IUPACN-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H20N2OS/c1-17(15(18)12-5-3-2-4-6-12)13-9-7-11(8-10-13)14(16)19/h7-10,12H,2-6H2,1H3,(H2,16,19)
InChIKeyZJOUPGYEMAYQTQ-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.86
Rot. Bonds3

About N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide

N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide (PubChem CID 62971005) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide
PubChem CID62971005
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc(C(N)=S)cc1
InChIInChI=1S/C15H20N2OS/c1-17(15(18)12-5-3-2-4-6-12)13-9-7-11(8-10-13)14(16)19/h7-10,12H,2-6H2,1H3,(H2,16,19)
InChIKeyZJOUPGYEMAYQTQ-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioylphenyl)-N-methylcycloheptanecarboxamide
CID 62969973
N-(4-carbamothioylphenyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 64905373
N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
CID 113094811
N-(4-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62970842
N-(4-carbamothioylphenyl)-N-methylpyrrolidine-1-carboxamide
CID 79162223
N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide
CID 113094937
2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid
CID 28759748
N-[4-(methanesulfonamido)phenyl]-N-methylcyclohexanecarboxamide
CID 113094578
methyl N-(4-carbamothioylphenyl)-N-methylcarbamate
CID 62971383
N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide
CID 113095001
4-[methyl-(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 55005499

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide?
The IUPAC name of N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide (CID 62971005) is N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide is CN(C(=O)C1CCCCC1)c1ccc(C(N)=S)cc1.
What is the InChIKey of N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide?
The InChIKey is ZJOUPGYEMAYQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-17(15(18)12-5-3-2-4-6-12)13-9-7-11(8-10-13)14(16)19/h7-10,12H,2-6H2,1H3,(H2,16,19).
What are the key properties of N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide?
N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide has a molecular weight of 276.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 62971005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).