N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide

C10H18N2O2S — CID 62955874

IUPACN-(2-carbamothioylcyclopentyl)-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C10H18N2O2S/c1-14-6-5-9(13)12-8-4-2-3-7(8)10(11)15/h7-8H,2-6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyKJJREIAVBJMYON-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.59
Rot. Bonds5

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

N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide (PubChem CID 62955874) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-3-methoxypropanamide
PubChem CID62955874
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(2-carbamothioylcyclopentyl)-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C10H18N2O2S/c1-14-6-5-9(13)12-8-4-2-3-7(8)10(11)15/h7-8H,2-6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyKJJREIAVBJMYON-UHFFFAOYSA-N
XLogP0.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 64813718
N-(2-carbamothioylcyclopentyl)-3-propoxypropanamide
CID 62955525
N-(2-carbamothioylcyclopentyl)-4-methoxypentanamide
CID 113382161
N-(2-carbamothioylcyclopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208406
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-(4-methylphenyl)propanamide
CID 62955876
N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide
CID 62956227
N-[2-(aminomethyl)cyclopentyl]-4-methoxybutanamide;hydrochloride
CID 119601417
N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
CID 62957100
2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
CID 62955197

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide (CID 62955874) is N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide is COCCC(=O)NC1CCCC1C(N)=S.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide?
The InChIKey is KJJREIAVBJMYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-14-6-5-9(13)12-8-4-2-3-7(8)10(11)15/h7-8H,2-6H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide?
N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide has a molecular weight of 230.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide is sourced from PubChem (CID 62955874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).