cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide

C9H15NO3S — CID 164634467

IUPACcis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)[C@H]1C[C@@H]1C1CCC1
InChIInChI=1S/C9H15NO3S/c1-14(12,13)10-9(11)8-5-7(8)6-3-2-4-6/h6-8H,2-5H2,1H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyUUBUBIVRRHZEHK-SFYZADRCSA-N
MW217.29 g/mol
LogP0.50
Rot. Bonds3

About cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide

cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide (PubChem CID 164634467) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide
PubChem CID164634467
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Namecis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)[C@H]1C[C@@H]1C1CCC1
InChIInChI=1S/C9H15NO3S/c1-14(12,13)10-9(11)8-5-7(8)6-3-2-4-6/h6-8H,2-5H2,1H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyUUBUBIVRRHZEHK-SFYZADRCSA-N
XLogP0.50
TPSA63.24 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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide (CID 164634467) is cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide is CS(=O)(=O)NC(=O)[C@H]1C[C@@H]1C1CCC1.
What is the InChIKey of cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide?
The InChIKey is UUBUBIVRRHZEHK-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-14(12,13)10-9(11)8-5-7(8)6-3-2-4-6/h6-8H,2-5H2,1H3,(H,10,11)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide has a molecular weight of 217.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-cyclobutyl-N-methylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 164634467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).