2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide

C7H11NO2S — CID 142833508

IUPAC2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide
SMILESC=CC1CC1C(=O)NS(C)=O
InChIInChI=1S/C7H11NO2S/c1-3-5-4-6(5)7(9)8-11(2)10/h3,5-6H,1,4H2,2H3,(H,8,9)
InChIKeyMSWRZGXJLVNOFM-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.22
Rot. Bonds3

About 2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide

2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide (PubChem CID 142833508) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide
PubChem CID142833508
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide
SMILESC=CC1CC1C(=O)NS(C)=O
InChIInChI=1S/C7H11NO2S/c1-3-5-4-6(5)7(9)8-11(2)10/h3,5-6H,1,4H2,2H3,(H,8,9)
InChIKeyMSWRZGXJLVNOFM-UHFFFAOYSA-N
XLogP0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide?
The IUPAC name of 2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide (CID 142833508) is 2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide?
The canonical SMILES for 2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide is C=CC1CC1C(=O)NS(C)=O.
What is the InChIKey of 2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide?
The InChIKey is MSWRZGXJLVNOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-3-5-4-6(5)7(9)8-11(2)10/h3,5-6H,1,4H2,2H3,(H,8,9).
What are the key properties of 2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide?
2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide has a molecular weight of 173.24 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-methylsulfinylcyclopropane-1-carboxamide is sourced from PubChem (CID 142833508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).