2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane

C10H19NO2S — CID 118931504

IUPAC2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)CS(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C10H19NO2S/c1-8(2)7-14(12,13)11-6-9-3-4-10(11)5-9/h8-10H,3-7H2,1-2H3
InChIKeyYXFZYSBVQNZNHX-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.46
Rot. Bonds3

About 2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane

2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 118931504) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane
PubChem CID118931504
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)CS(=O)(=O)N1CC2CCC1C2
InChIInChI=1S/C10H19NO2S/c1-8(2)7-14(12,13)11-6-9-3-4-10(11)5-9/h8-10H,3-7H2,1-2H3
InChIKeyYXFZYSBVQNZNHX-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane (CID 118931504) is 2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane is CC(C)CS(=O)(=O)N1CC2CCC1C2.
What is the InChIKey of 2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is YXFZYSBVQNZNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)7-14(12,13)11-6-9-3-4-10(11)5-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane?
2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 217.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 118931504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).