1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide

C14H18N2OS — CID 80591313

IUPAC1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
SMILESCN(CCc1ccccc1)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C14H18N2OS/c1-16(10-7-11-5-3-2-4-6-11)13(17)14(8-9-14)12(15)18/h2-6H,7-10H2,1H3,(H2,15,18)
InChIKeyJQSDAGUZNSKRGO-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.75
Rot. Bonds5

About 1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide (PubChem CID 80591313) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
PubChem CID80591313
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
SMILESCN(CCc1ccccc1)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C14H18N2OS/c1-16(10-7-11-5-3-2-4-6-11)13(17)14(8-9-14)12(15)18/h2-6H,7-10H2,1H3,(H2,15,18)
InChIKeyJQSDAGUZNSKRGO-UHFFFAOYSA-N
XLogP1.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.75
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-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 54871932
1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80590042
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)-3-sulfanylidenepropanamide
CID 65487462
3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide
CID 115185456
1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
CID 65464465
1-N-[4-(diaminomethylideneamino)butyl]-1-N'-methyl-1-N'-(2-phenylethyl)cyclopentane-1,1-dicarboxamide
CID 70273027
2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 65487463
1-carbamothioyl-N-[(3-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80592624
1-carbamothioyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 80589184
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220
1-carbamothioyl-N-[(2-chlorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80590057
1-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80589290

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide (CID 80591313) is 1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide is CN(CCc1ccccc1)C(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The InChIKey is JQSDAGUZNSKRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(10-7-11-5-3-2-4-6-11)13(17)14(8-9-14)12(15)18/h2-6H,7-10H2,1H3,(H2,15,18).
What are the key properties of 1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80591313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).