1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide

C10H14N2O3S — CID 80592027

IUPAC1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H14N2O3S/c11-7-10(2-3-10)9(13)12-5-8-1-4-16(14,15)6-8/h8H,1-6H2,(H,12,13)
InChIKeyCKJHZHMRXIHPNQ-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.16
Rot. Bonds3

About 1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide

1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 80592027) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID80592027
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H14N2O3S/c11-7-10(2-3-10)9(13)12-5-8-1-4-16(14,15)6-8/h8H,1-6H2,(H,12,13)
InChIKeyCKJHZHMRXIHPNQ-UHFFFAOYSA-N
XLogP-0.16
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]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

N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)acetamide
CID 61058518
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262
1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592650
1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 80589592
1-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115441801
1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide
CID 115635699
1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107413298
2-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]-2-ethylbutanamide
CID 62132151
2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 61057544
N-[(1,1-dioxothiolan-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980232
1-[[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451556
(2S)-2-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 51892168

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide (CID 80592027) is 1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide is N#CC1(C(=O)NCC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CKJHZHMRXIHPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-7-10(2-3-10)9(13)12-5-8-1-4-16(14,15)6-8/h8H,1-6H2,(H,12,13).
What are the key properties of 1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide?
1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 242.30 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80592027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).