N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide

C12H22N2O2S — CID 113382161

IUPACN-(2-carbamothioylcyclopentyl)-4-methoxypentanamide
SMILESCOC(C)CCC(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C12H22N2O2S/c1-8(16-2)6-7-11(15)14-10-5-3-4-9(10)12(13)17/h8-10H,3-7H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyRNKQHNYSDAZVMC-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.37
Rot. Bonds6

About N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide

N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide (PubChem CID 113382161) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-4-methoxypentanamide
PubChem CID113382161
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(2-carbamothioylcyclopentyl)-4-methoxypentanamide
SMILESCOC(C)CCC(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C12H22N2O2S/c1-8(16-2)6-7-11(15)14-10-5-3-4-9(10)12(13)17/h8-10H,3-7H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyRNKQHNYSDAZVMC-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide 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

N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide
CID 62955874
N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide
CID 62955525
N-(2-carbamothioylcyclopentyl)-2-ethoxyacetamide
CID 62956567
N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide
CID 62955195
N-(2-carbamothioylcyclopentyl)-3-(4-methoxyphenyl)propanamide
CID 62956927
N-(2-carbamothioylcyclopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208406
2-(4-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 64812288
N-(2-carbamothioylcyclopentyl)-2-methylpentanamide
CID 62956390
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
CID 62955876
N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide
CID 62956227
2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid
CID 82851867
N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
CID 62957100

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide (CID 113382161) is N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide is COC(C)CCC(=O)NC1CCCC1C(N)=S.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide?
The InChIKey is RNKQHNYSDAZVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-8(16-2)6-7-11(15)14-10-5-3-4-9(10)12(13)17/h8-10H,3-7H2,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide?
N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide has a molecular weight of 258.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide is sourced from PubChem (CID 113382161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).