N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide

C13H16N2OS — CID 833541

IUPACN-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCCN(C(=S)NC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H16N2OS/c1-2-15(11-6-4-3-5-7-11)13(17)14-12(16)10-8-9-10/h3-7,10H,2,8-9H2,1H3,(H,14,16,17)
InChIKeyARGJNWXUBJTAQO-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.32
Rot. Bonds3

About N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide

N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 833541) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID833541
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide
SMILESCCN(C(=S)NC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C13H16N2OS/c1-2-15(11-6-4-3-5-7-11)13(17)14-12(16)10-8-9-10/h3-7,10H,2,8-9H2,1H3,(H,14,16,17)
InChIKeyARGJNWXUBJTAQO-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.32
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

1-Acetyl-3-phenyl-2-thiourea
CID 853886
N,N-diallyl-N'-phenylthiourea
CID 853783
5-Methyl-3-phenyl-2-thioxoimidazolidin-4-one
CID 2872314
N-(phenylcarbamothioyl)cyclohexanecarboxamide
CID 797446
N-[4-({[(cyclopropylcarbonyl)amino]carbothioyl}amino)phenyl]acetamide
CID 833425
N-[(2-fluorophenyl)carbamothioyl]acetamide
CID 2235536
N-(cyclopropylmethyl)-N'-(2-fluorophenyl)-N-propylthiourea
CID 714647
1-[2-(2-Oxopyrrolidin-1-yl)ethyl]-3-phenylthiourea
CID 759774
6-Methyl-1-phenyl-2-sulfanylidenepyrimidin-4-one
CID 3239037
1-[3-(2-Oxopyrrolidin-1-yl)propyl]-3-phenylthiourea
CID 1916854
N-(2,4-difluorophenyl)-3,3-dimethyl-2-oxoazetidine-1-carbothioamide
CID 2800764
6-amino-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 1164574

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide (CID 833541) is N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide is CCN(C(=S)NC(=O)C1CC1)c1ccccc1.
What is the InChIKey of N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is ARGJNWXUBJTAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-15(11-6-4-3-5-7-11)13(17)14-12(16)10-8-9-10/h3-7,10H,2,8-9H2,1H3,(H,14,16,17).
What are the key properties of N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide?
N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 248.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(phenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 833541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).