1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

C12H15N3OS — CID 80590042

IUPAC1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C12H15N3OS/c1-15(8-9-3-2-6-14-7-9)11(16)12(4-5-12)10(13)17/h2-3,6-7H,4-5,8H2,1H3,(H2,13,17)
InChIKeyAREZJPFQFJCLCQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.11
Rot. Bonds4

About 1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 80590042) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID80590042
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1(C(N)=S)CC1
InChIInChI=1S/C12H15N3OS/c1-15(8-9-3-2-6-14-7-9)11(16)12(4-5-12)10(13)17/h2-3,6-7H,4-5,8H2,1H3,(H2,13,17)
InChIKeyAREZJPFQFJCLCQ-UHFFFAOYSA-N
XLogP1.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
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-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 80591313
1-carbamothioyl-N-[(3-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80592624
1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551039
1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80590807
1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
CID 114828150
3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 63130194
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (CID 80590042) is 1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is CN(Cc1cccnc1)C(=O)C1(C(N)=S)CC1.
What is the InChIKey of 1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is AREZJPFQFJCLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15(8-9-3-2-6-14-7-9)11(16)12(4-5-12)10(13)17/h2-3,6-7H,4-5,8H2,1H3,(H2,13,17).
What are the key properties of 1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80590042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).