1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide

C9H15N3O2S — CID 80593420

IUPAC1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)CNC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C9H15N3O2S/c1-12(2)6(13)5-11-8(14)9(3-4-9)7(10)15/h3-5H2,1-2H3,(H2,10,15)(H,11,14)
InChIKeyOFCYSVMAVGTQHC-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.74
Rot. Bonds4

About 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide

1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide (PubChem CID 80593420) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
PubChem CID80593420
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)CNC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C9H15N3O2S/c1-12(2)6(13)5-11-8(14)9(3-4-9)7(10)15/h3-5H2,1-2H3,(H2,10,15)(H,11,14)
InChIKeyOFCYSVMAVGTQHC-UHFFFAOYSA-N
XLogP-0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.74
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

1-carbamothioyl-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 80588971
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 80589184
1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271
1-carbamothioyl-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 80592590
1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
CID 80592483
1-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]cyclobutane-1-carboxamide
CID 80588092
1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
CID 80592274
1-carbamothioyl-N-[2-(dimethylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 106338824
1-carbamothioyl-N-(2-propan-2-yloxyethyl)cyclopropane-1-carboxamide
CID 104761691
N-[2-(dimethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide
CID 63121296
1-carbamothioyl-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 80590145
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]oxane-4-carboxamide
CID 105418006

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide (CID 80593420) is 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide is CN(C)C(=O)CNC(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
The InChIKey is OFCYSVMAVGTQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-12(2)6(13)5-11-8(14)9(3-4-9)7(10)15/h3-5H2,1-2H3,(H2,10,15)(H,11,14).
What are the key properties of 1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide has a molecular weight of 229.30 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-[2-(dimethylamino)-2-oxoethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80593420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).