1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide

C11H18N2O2S — CID 80589003

IUPAC1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=S)CC1)C1CCCO1
InChIInChI=1S/C11H18N2O2S/c1-7(8-3-2-6-15-8)13-10(14)11(4-5-11)9(12)16/h7-8H,2-6H2,1H3,(H2,12,16)(H,13,14)
InChIKeyOVAVZDXOBHOVMR-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.74
Rot. Bonds4

About 1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide

1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 80589003) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID80589003
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=S)CC1)C1CCCO1
InChIInChI=1S/C11H18N2O2S/c1-7(8-3-2-6-15-8)13-10(14)11(4-5-11)9(12)16/h7-8H,2-6H2,1H3,(H2,12,16)(H,13,14)
InChIKeyOVAVZDXOBHOVMR-UHFFFAOYSA-N
XLogP0.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-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-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096067
1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
CID 76919474
1-(oxolan-2-yl)ethylthiourea
CID 43533883
1-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728554
1-carbamothioyl-N-(1-cyclohexylethyl)cycloheptane-1-carboxamide
CID 62405102
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
CID 7346762
3-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119944639
2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 63590874
3-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55164169
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide
CID 106345625
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 80592521

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide (CID 80589003) is 1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1(C(N)=S)CC1)C1CCCO1.
What is the InChIKey of 1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is OVAVZDXOBHOVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(8-3-2-6-15-8)13-10(14)11(4-5-11)9(12)16/h7-8H,2-6H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of 1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide?
1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 242.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80589003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).