1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one

C11H11NO3S — CID 3048863

IUPAC1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one
SMILESCS(=O)(=O)N1c2ccccc2C(=O)C12CC2
InChIInChI=1S/C11H11NO3S/c1-16(14,15)12-9-5-3-2-4-8(9)10(13)11(12)6-7-11/h2-5H,6-7H2,1H3
InChIKeyAYBKHRNXFXGXNV-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.18
Rot. Bonds1

About 1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one

1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one (PubChem CID 3048863) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one.

Molecular Properties

Compound Name1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one
PubChem CID3048863
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one
SMILESCS(=O)(=O)N1c2ccccc2C(=O)C12CC2
InChIInChI=1S/C11H11NO3S/c1-16(14,15)12-9-5-3-2-4-8(9)10(13)11(12)6-7-11/h2-5H,6-7H2,1H3
InChIKeyAYBKHRNXFXGXNV-UHFFFAOYSA-N
XLogP1.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one?
The IUPAC name of 1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one (CID 3048863) is 1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one.
What is the SMILES notation for 1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one?
The canonical SMILES for 1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one is CS(=O)(=O)N1c2ccccc2C(=O)C12CC2.
What is the InChIKey of 1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one?
The InChIKey is AYBKHRNXFXGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-16(14,15)12-9-5-3-2-4-8(9)10(13)11(12)6-7-11/h2-5H,6-7H2,1H3.
What are the key properties of 1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one?
1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one has a molecular weight of 237.28 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylsulfonylspiro[cyclopropane-1,2'-indole]-3'-one is sourced from PubChem (CID 3048863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).