6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide

C9H16N2O3S — CID 151058381

IUPAC6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCS(=O)(=O)N1CCC2(CC1)CC2C(N)=O
InChIInChI=1S/C9H16N2O3S/c1-15(13,14)11-4-2-9(3-5-11)6-7(9)8(10)12/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyMFQDYBSZCVIBEO-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.47
Rot. Bonds2

About 6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide

6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 151058381) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID151058381
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCS(=O)(=O)N1CCC2(CC1)CC2C(N)=O
InChIInChI=1S/C9H16N2O3S/c1-15(13,14)11-4-2-9(3-5-11)6-7(9)8(10)12/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyMFQDYBSZCVIBEO-UHFFFAOYSA-N
XLogP-0.47
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide (CID 151058381) is 6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide is CS(=O)(=O)N1CCC2(CC1)CC2C(N)=O.
What is the InChIKey of 6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is MFQDYBSZCVIBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-15(13,14)11-4-2-9(3-5-11)6-7(9)8(10)12/h7H,2-6H2,1H3,(H2,10,12).
What are the key properties of 6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide?
6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 232.30 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 151058381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).