2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide

C9H16N2O3S — CID 69289387

IUPAC2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide
SMILESCS(=O)(=O)C1CC12CNCC(C(N)=O)C2
InChIInChI=1S/C9H16N2O3S/c1-15(13,14)7-3-9(7)2-6(8(10)12)4-11-5-9/h6-7,11H,2-5H2,1H3,(H2,10,12)
InChIKeySWHAWKAHQPJXRJ-UHFFFAOYSA-N
MW232.30 g/mol
LogP-1.12
Rot. Bonds2

About 2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide

2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide (PubChem CID 69289387) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide
PubChem CID69289387
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide
SMILESCS(=O)(=O)C1CC12CNCC(C(N)=O)C2
InChIInChI=1S/C9H16N2O3S/c1-15(13,14)7-3-9(7)2-6(8(10)12)4-11-5-9/h6-7,11H,2-5H2,1H3,(H2,10,12)
InChIKeySWHAWKAHQPJXRJ-UHFFFAOYSA-N
XLogP-1.12
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of 2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide (CID 69289387) is 2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for 2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for 2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide is CS(=O)(=O)C1CC12CNCC(C(N)=O)C2.
What is the InChIKey of 2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is SWHAWKAHQPJXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-15(13,14)7-3-9(7)2-6(8(10)12)4-11-5-9/h6-7,11H,2-5H2,1H3,(H2,10,12).
What are the key properties of 2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide?
2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 232.30 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 69289387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).