N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide

C15H26N2OS — CID 62955195

IUPACN-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide
SMILESNC(=S)C1CCCC1NC(=O)CCC1CCCCC1
InChIInChI=1S/C15H26N2OS/c16-15(19)12-7-4-8-13(12)17-14(18)10-9-11-5-2-1-3-6-11/h11-13H,1-10H2,(H2,16,19)(H,17,18)
InChIKeyPMZMHSMROJAEKA-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.92
Rot. Bonds5

About N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide

N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide (PubChem CID 62955195) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide
PubChem CID62955195
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide
SMILESNC(=S)C1CCCC1NC(=O)CCC1CCCCC1
InChIInChI=1S/C15H26N2OS/c16-15(19)12-7-4-8-13(12)17-14(18)10-9-11-5-2-1-3-6-11/h11-13H,1-10H2,(H2,16,19)(H,17,18)
InChIKeyPMZMHSMROJAEKA-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.92
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-carbamothioylcyclopentyl)-3-methoxypropanamide
CID 62955874
N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide
CID 113382161
N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide
CID 106444163
N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide
CID 62955525
N-(2-carbamothioylcyclopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208406
(3-cyclohexylpropanoylamino)thiourea
CID 65214782
N-(2-carbamothioylcyclopentyl)-2-ethoxyacetamide
CID 62956567
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
CID 62955876
3-cyclopentyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
CID 74340536
3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
CID 80701268
3-(3-aminocyclohexyl)-N-(2-ethylcyclohexyl)propanamide
CID 80701611
2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
CID 62955197

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide (CID 62955195) is N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide is NC(=S)C1CCCC1NC(=O)CCC1CCCCC1.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide?
The InChIKey is PMZMHSMROJAEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c16-15(19)12-7-4-8-13(12)17-14(18)10-9-11-5-2-1-3-6-11/h11-13H,1-10H2,(H2,16,19)(H,17,18).
What are the key properties of N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide?
N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide has a molecular weight of 282.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 62955195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).