N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide

C17H22N2OS — CID 62881411

IUPACN-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide
SMILESNC(=S)C1(NC(=O)C2(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C17H22N2OS/c18-14(21)17(9-5-2-6-10-17)19-15(20)16(11-12-16)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,18,21)(H,19,20)
InChIKeyJAWDQQZGNZEBBE-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.82
Rot. Bonds4

About N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide

N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 62881411) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID62881411
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide
SMILESNC(=S)C1(NC(=O)C2(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C17H22N2OS/c18-14(21)17(9-5-2-6-10-17)19-15(20)16(11-12-16)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,18,21)(H,19,20)
InChIKeyJAWDQQZGNZEBBE-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide 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

1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 43360266
N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 62521476
N-[1-(aminomethyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 63753599
N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 114303546
N-(1-carbamothioylcyclopentyl)-2-methyl-2-phenylpropanamide
CID 61120513
N-(1-amino-1-sulfanylidenepropan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 62881236
N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
CID 61118930
N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
CID 61118938
2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 28624302
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
N-(1-carbamothioylcycloheptyl)-2-(2-fluorophenyl)acetamide
CID 61119179
N-(1-carbamothioylcycloheptyl)-2-(2-chlorophenyl)acetamide
CID 61119572

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide (CID 62881411) is N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide is NC(=S)C1(NC(=O)C2(c3ccccc3)CC2)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is JAWDQQZGNZEBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c18-14(21)17(9-5-2-6-10-17)19-15(20)16(11-12-16)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,18,21)(H,19,20).
What are the key properties of N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide?
N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 62881411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).