2-[(2-methylcyclopropyl)amino]benzenecarbothioamide

C11H14N2S — CID 62409950

IUPAC2-[(2-methylcyclopropyl)amino]benzenecarbothioamide
SMILESCC1CC1Nc1ccccc1C(N)=S
InChIInChI=1S/C11H14N2S/c1-7-6-10(7)13-9-5-3-2-4-8(9)11(12)14/h2-5,7,10,13H,6H2,1H3,(H2,12,14)
InChIKeyARRSGTBENRXIPG-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.14
Rot. Bonds3

About 2-[(2-methylcyclopropyl)amino]benzenecarbothioamide

2-[(2-methylcyclopropyl)amino]benzenecarbothioamide (PubChem CID 62409950) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)amino]benzenecarbothioamide.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)amino]benzenecarbothioamide
PubChem CID62409950
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-[(2-methylcyclopropyl)amino]benzenecarbothioamide
SMILESCC1CC1Nc1ccccc1C(N)=S
InChIInChI=1S/C11H14N2S/c1-7-6-10(7)13-9-5-3-2-4-8(9)11(12)14/h2-5,7,10,13H,6H2,1H3,(H2,12,14)
InChIKeyARRSGTBENRXIPG-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[(2-methylcyclopropyl)amino]benzenecarbothioamide
CID 107928901
5-bromo-2-[(2-methylcyclopropyl)amino]benzenecarbothioamide
CID 114891701
4-[(2-methylcyclopropyl)amino]quinoline-3-carbothioamide
CID 62410326
2-methyl-4-[(2-methylcyclopropyl)amino]benzenecarbothioamide
CID 81276367
2-(tert-butylamino)benzenecarbothioamide
CID 28600889
methyl 2-amino-3-[(2-methylcyclopropyl)amino]benzoate
CID 115545871
4-[(2-methylcyclopropyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 62410133
2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenecarbothioamide
CID 64670032
4-methyl-2-[(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 62307855
5-methyl-2-[(3-methylcyclobutyl)amino]benzenecarbothioamide
CID 107929277
N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477465
ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate
CID 64761186

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)amino]benzenecarbothioamide?
The IUPAC name of 2-[(2-methylcyclopropyl)amino]benzenecarbothioamide (CID 62409950) is 2-[(2-methylcyclopropyl)amino]benzenecarbothioamide.
What is the SMILES notation for 2-[(2-methylcyclopropyl)amino]benzenecarbothioamide?
The canonical SMILES for 2-[(2-methylcyclopropyl)amino]benzenecarbothioamide is CC1CC1Nc1ccccc1C(N)=S.
What is the InChIKey of 2-[(2-methylcyclopropyl)amino]benzenecarbothioamide?
The InChIKey is ARRSGTBENRXIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-7-6-10(7)13-9-5-3-2-4-8(9)11(12)14/h2-5,7,10,13H,6H2,1H3,(H2,12,14).
What are the key properties of 2-[(2-methylcyclopropyl)amino]benzenecarbothioamide?
2-[(2-methylcyclopropyl)amino]benzenecarbothioamide has a molecular weight of 206.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)amino]benzenecarbothioamide is sourced from PubChem (CID 62409950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).