1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide

C9H15NO3S — CID 178054668

IUPAC1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)C1CC(C2(C(N)=O)CC2)C1
InChIInChI=1S/C9H15NO3S/c1-14(12,13)7-4-6(5-7)9(2-3-9)8(10)11/h6-7H,2-5H2,1H3,(H2,10,11)
InChIKeyFIDRYQJBMYSYIH-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.08
Rot. Bonds3

About 1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide

1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide (PubChem CID 178054668) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide
PubChem CID178054668
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)C1CC(C2(C(N)=O)CC2)C1
InChIInChI=1S/C9H15NO3S/c1-14(12,13)7-4-6(5-7)9(2-3-9)8(10)11/h6-7H,2-5H2,1H3,(H2,10,11)
InChIKeyFIDRYQJBMYSYIH-UHFFFAOYSA-N
XLogP0.08
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide (CID 178054668) is 1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide is CS(=O)(=O)C1CC(C2(C(N)=O)CC2)C1.
What is the InChIKey of 1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide?
The InChIKey is FIDRYQJBMYSYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-14(12,13)7-4-6(5-7)9(2-3-9)8(10)11/h6-7H,2-5H2,1H3,(H2,10,11).
What are the key properties of 1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide?
1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide has a molecular weight of 217.29 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylcyclobutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 178054668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).