3-carbamothioyl-N-cyclopropyl-N-methylbenzamide

C12H14N2OS — CID 43265122

IUPAC3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C(N)=S)c1)C1CC1
InChIInChI=1S/C12H14N2OS/c1-14(10-5-6-10)12(15)9-4-2-3-8(7-9)11(13)16/h2-4,7,10H,5-6H2,1H3,(H2,13,16)
InChIKeyFVUIHVKZBSNJBN-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.56
Rot. Bonds3

About 3-carbamothioyl-N-cyclopropyl-N-methylbenzamide

3-carbamothioyl-N-cyclopropyl-N-methylbenzamide (PubChem CID 43265122) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-carbamothioyl-N-cyclopropyl-N-methylbenzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
PubChem CID43265122
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C(N)=S)c1)C1CC1
InChIInChI=1S/C12H14N2OS/c1-14(10-5-6-10)12(15)9-4-2-3-8(7-9)11(13)16/h2-4,7,10H,5-6H2,1H3,(H2,13,16)
InChIKeyFVUIHVKZBSNJBN-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62547513
3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
CID 47415616
N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
N-cyclopropyl-3-hydrazinyl-N-methylbenzamide
CID 91201306
N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide
CID 82179274
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 104974741
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 79114417

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-cyclopropyl-N-methylbenzamide?
The IUPAC name of 3-carbamothioyl-N-cyclopropyl-N-methylbenzamide (CID 43265122) is 3-carbamothioyl-N-cyclopropyl-N-methylbenzamide.
What is the SMILES notation for 3-carbamothioyl-N-cyclopropyl-N-methylbenzamide?
The canonical SMILES for 3-carbamothioyl-N-cyclopropyl-N-methylbenzamide is CN(C(=O)c1cccc(C(N)=S)c1)C1CC1.
What is the InChIKey of 3-carbamothioyl-N-cyclopropyl-N-methylbenzamide?
The InChIKey is FVUIHVKZBSNJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-14(10-5-6-10)12(15)9-4-2-3-8(7-9)11(13)16/h2-4,7,10H,5-6H2,1H3,(H2,13,16).
What are the key properties of 3-carbamothioyl-N-cyclopropyl-N-methylbenzamide?
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide has a molecular weight of 234.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-cyclopropyl-N-methylbenzamide is sourced from PubChem (CID 43265122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).