1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide

C14H18N2OS — CID 80589899

IUPAC1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide
SMILESCCCc1ccccc1NC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C14H18N2OS/c1-2-5-10-6-3-4-7-11(10)16-13(17)14(8-9-14)12(15)18/h3-4,6-7H,2,5,8-9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyACKBAGIWCZNCHD-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.64
Rot. Bonds5

About 1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide (PubChem CID 80589899) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide
PubChem CID80589899
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide
SMILESCCCc1ccccc1NC(=O)C1(C(N)=S)CC1
InChIInChI=1S/C14H18N2OS/c1-2-5-10-6-3-4-7-11(10)16-13(17)14(8-9-14)12(15)18/h3-4,6-7H,2,5,8-9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyACKBAGIWCZNCHD-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.64
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

1-carbamothioyl-N-[2-(methoxymethyl)phenyl]cyclobutane-1-carboxamide
CID 80589984
1-carbamothioyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide
CID 80593162
1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970292
2-amino-1-methyl-N-(2-propylphenyl)cyclopentane-1-carboxamide
CID 82764407
3-methyl-N-(2-propylphenyl)piperidine-3-carboxamide
CID 63130513
ethane;N-(2-propylphenyl)acetamide
CID 142804217
1-carbamothioyl-N-[2-(difluoromethylsulfanyl)phenyl]cyclopropane-1-carboxamide
CID 80592481
N-(2-ethylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80591274
1-carbamothioyl-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80592381
1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971075
(2-propylphenyl)carbamodithioic acid
CID 87193127
1-amino-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 65465258

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide (CID 80589899) is 1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide is CCCc1ccccc1NC(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide?
The InChIKey is ACKBAGIWCZNCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-5-10-6-3-4-7-11(10)16-13(17)14(8-9-14)12(15)18/h3-4,6-7H,2,5,8-9H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-propylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80589899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).