1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide

C13H18N2OS2 — CID 80589392

IUPAC1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)C(NC(=O)C1(C(N)=S)CC1)c1cccs1
InChIInChI=1S/C13H18N2OS2/c1-8(2)10(9-4-3-7-18-9)15-12(16)13(5-6-13)11(14)17/h3-4,7-8,10H,5-6H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyLYPQGILJVWFHNQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.63
Rot. Bonds5

About 1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 80589392) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
PubChem CID80589392
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)C(NC(=O)C1(C(N)=S)CC1)c1cccs1
InChIInChI=1S/C13H18N2OS2/c1-8(2)10(9-4-3-7-18-9)15-12(16)13(5-6-13)11(14)17/h3-4,7-8,10H,5-6H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyLYPQGILJVWFHNQ-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
CID 80589308
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
1-carbamothioyl-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 80592521
3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 63130877
2-(1-aminocyclopentyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 64685035
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide
CID 106345625
1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 80590171
1-carbamothioyl-N-[1-(4-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 80589221
2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43709161
2-bromo-3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43699738
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80588942

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide (CID 80589392) is 1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide is CC(C)C(NC(=O)C1(C(N)=S)CC1)c1cccs1.
What is the InChIKey of 1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is LYPQGILJVWFHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-8(2)10(9-4-3-7-18-9)15-12(16)13(5-6-13)11(14)17/h3-4,7-8,10H,5-6H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80589392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).