2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide

C13H16N2OS — CID 143562841

IUPAC2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide
SMILESC=CC1CC1C(=O)NSc1ccccc1NC
InChIInChI=1S/C13H16N2OS/c1-3-9-8-10(9)13(16)15-17-12-7-5-4-6-11(12)14-2/h3-7,9-10,14H,1,8H2,2H3,(H,15,16)
InChIKeyYBFVBLGCNQOJPG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.67
Rot. Bonds5

About 2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide

2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide (PubChem CID 143562841) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide
PubChem CID143562841
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide
SMILESC=CC1CC1C(=O)NSc1ccccc1NC
InChIInChI=1S/C13H16N2OS/c1-3-9-8-10(9)13(16)15-17-12-7-5-4-6-11(12)14-2/h3-7,9-10,14H,1,8H2,2H3,(H,15,16)
InChIKeyYBFVBLGCNQOJPG-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[4-(diethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 833153
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 6468606
2-methyl-N-(2-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 16267366
(5R,7R,8Z)-5-amino-19-fluoro-2,2-dioxo-2lambda6-thia-3,15-diazatricyclo[14.4.0.05,7]icosa-1(16),8,17,19-tetraen-4-one
CID 59441377
(5R,7S,8Z)-5-amino-19-fluoro-2,2-dioxo-2lambda6-thia-3,15-diazatricyclo[14.4.0.05,7]icosa-1(16),8,17,19-tetraen-4-one
CID 70861089
(5R,7S)-5-amino-19-fluoro-2,2-dioxo-2lambda6-thia-3,15-diazatricyclo[14.4.0.05,7]icosa-1(16),8,17,19-tetraen-4-one
CID 91547996
(2S)-2-[(2-acetamidophenyl)sulfonylamino]-N,3-dimethylbutanamide
CID 139182784
N-(5-fluoro-2-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 61130728
N-(5-fluoro-2-sulfamoylphenyl)-2-methylpentanamide
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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide?
The IUPAC name of 2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide (CID 143562841) is 2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide?
The canonical SMILES for 2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide is C=CC1CC1C(=O)NSc1ccccc1NC.
What is the InChIKey of 2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide?
The InChIKey is YBFVBLGCNQOJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-9-8-10(9)13(16)15-17-12-7-5-4-6-11(12)14-2/h3-7,9-10,14H,1,8H2,2H3,(H,15,16).
What are the key properties of 2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide?
2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-[2-(methylamino)phenyl]sulfanylcyclopropane-1-carboxamide is sourced from PubChem (CID 143562841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).