N-methylsulfonylspiro[3.3]heptane-2-carboxamide

C9H15NO3S — CID 167878767

IUPACN-methylsulfonylspiro[3.3]heptane-2-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CC2(CCC2)C1
InChIInChI=1S/C9H15NO3S/c1-14(12,13)10-8(11)7-5-9(6-7)3-2-4-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyAIJPDJBHLHKOPZ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.64
Rot. Bonds2

About N-methylsulfonylspiro[3.3]heptane-2-carboxamide

N-methylsulfonylspiro[3.3]heptane-2-carboxamide (PubChem CID 167878767) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-methylsulfonylspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-methylsulfonylspiro[3.3]heptane-2-carboxamide
PubChem CID167878767
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-methylsulfonylspiro[3.3]heptane-2-carboxamide
SMILESCS(=O)(=O)NC(=O)C1CC2(CCC2)C1
InChIInChI=1S/C9H15NO3S/c1-14(12,13)10-8(11)7-5-9(6-7)3-2-4-9/h7H,2-6H2,1H3,(H,10,11)
InChIKeyAIJPDJBHLHKOPZ-UHFFFAOYSA-N
XLogP0.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonylspiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-methylsulfonylspiro[3.3]heptane-2-carboxamide (CID 167878767) is N-methylsulfonylspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-methylsulfonylspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-methylsulfonylspiro[3.3]heptane-2-carboxamide is CS(=O)(=O)NC(=O)C1CC2(CCC2)C1.
What is the InChIKey of N-methylsulfonylspiro[3.3]heptane-2-carboxamide?
The InChIKey is AIJPDJBHLHKOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-14(12,13)10-8(11)7-5-9(6-7)3-2-4-9/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of N-methylsulfonylspiro[3.3]heptane-2-carboxamide?
N-methylsulfonylspiro[3.3]heptane-2-carboxamide has a molecular weight of 217.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonylspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 167878767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).