2-methylsulfonyl-2-azabicyclo[2.2.1]heptane

C7H13NO2S — CID 61059258

IUPAC2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
SMILESCS(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C7H13NO2S/c1-11(9,10)8-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3
InChIKeyDNPLQQWJKMVPIM-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.43
Rot. Bonds1

About 2-methylsulfonyl-2-azabicyclo[2.2.1]heptane

2-methylsulfonyl-2-azabicyclo[2.2.1]heptane (PubChem CID 61059258) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-methylsulfonyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
PubChem CID61059258
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-methylsulfonyl-2-azabicyclo[2.2.1]heptane
SMILESCS(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C7H13NO2S/c1-11(9,10)8-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3
InChIKeyDNPLQQWJKMVPIM-UHFFFAOYSA-N
XLogP0.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-methylsulfonyl-2-azabicyclo[2.2.1]heptane (CID 61059258) is 2-methylsulfonyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methylsulfonyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methylsulfonyl-2-azabicyclo[2.2.1]heptane is CS(=O)(=O)N1CC2CCC1C2.
What is the InChIKey of 2-methylsulfonyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is DNPLQQWJKMVPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-11(9,10)8-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-methylsulfonyl-2-azabicyclo[2.2.1]heptane?
2-methylsulfonyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 175.25 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 61059258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).