N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide

C14H26N2OS — CID 61119748

IUPACN-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1(C(N)=S)CCC(C)CC1
InChIInChI=1S/C14H26N2OS/c1-4-11(5-2)12(17)16-14(13(15)18)8-6-10(3)7-9-14/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyRZLFCEDXWYMMRD-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.77
Rot. Bonds5

About N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide

N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide (PubChem CID 61119748) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide
PubChem CID61119748
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1(C(N)=S)CCC(C)CC1
InChIInChI=1S/C14H26N2OS/c1-4-11(5-2)12(17)16-14(13(15)18)8-6-10(3)7-9-14/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyRZLFCEDXWYMMRD-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-carbamothioyl-4-methylcyclohexyl)-1,1-diethylurea
CID 79161664
N-(1-carbamothioylcycloheptyl)-2-propylpentanamide
CID 82984373
N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
CID 61121732
1-(ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472
N-(1-carbamothioyl-4-methylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208332
N-(1-carbamothioyl-4-methylcyclohexyl)-2-(oxolan-2-yl)acetamide
CID 65156767
3-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)benzamide
CID 61121742
3-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)-5-methylbenzamide
CID 104851555
4-methyl-1-(sulfamoylamino)cyclohexane-1-carbothioamide
CID 114959147
N-(1-carbamothioyl-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810478
N-(1-carbamothioyl-4-methylcyclohexyl)-1,1-dioxothiane-2-carboxamide
CID 104519346
methyl 2-[(1-carbamothioyl-4-methylcyclohexyl)sulfamoyl]propanoate
CID 61458577

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide?
The IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide (CID 61119748) is N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide.
What is the SMILES notation for N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide?
The canonical SMILES for N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide is CCC(CC)C(=O)NC1(C(N)=S)CCC(C)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide?
The InChIKey is RZLFCEDXWYMMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-11(5-2)12(17)16-14(13(15)18)8-6-10(3)7-9-14/h10-11H,4-9H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide?
N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide has a molecular weight of 270.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-methylcyclohexyl)-2-ethylbutanamide is sourced from PubChem (CID 61119748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).