3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide

C8H13NO3S — CID 149265554

IUPAC3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCC12CC(C(=O)NS(C)(=O)=O)(C1)C2
InChIInChI=1S/C8H13NO3S/c1-7-3-8(4-7,5-7)6(10)9-13(2,11)12/h3-5H2,1-2H3,(H,9,10)
InChIKeyXQBOPWAIVOHUKI-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.25
Rot. Bonds2

About 3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide

3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 149265554) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID149265554
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCC12CC(C(=O)NS(C)(=O)=O)(C1)C2
InChIInChI=1S/C8H13NO3S/c1-7-3-8(4-7,5-7)6(10)9-13(2,11)12/h3-5H2,1-2H3,(H,9,10)
InChIKeyXQBOPWAIVOHUKI-UHFFFAOYSA-N
XLogP0.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide (CID 149265554) is 3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide is CC12CC(C(=O)NS(C)(=O)=O)(C1)C2.
What is the InChIKey of 3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is XQBOPWAIVOHUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-7-3-8(4-7,5-7)6(10)9-13(2,11)12/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide?
3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 203.26 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-methylsulfonylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 149265554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).