8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C12H22N2O2S — CID 134791064

IUPAC8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2S(=O)(=O)C1CC1
InChIInChI=1S/C12H22N2O2S/c1-9(2)13-7-10-3-4-11(8-13)14(10)17(15,16)12-5-6-12/h9-12H,3-8H2,1-2H3
InChIKeyQXWSHMKMLCFFFV-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.04
Rot. Bonds3

About 8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 134791064) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID134791064
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCC(C1)N2S(=O)(=O)C1CC1
InChIInChI=1S/C12H22N2O2S/c1-9(2)13-7-10-3-4-11(8-13)14(10)17(15,16)12-5-6-12/h9-12H,3-8H2,1-2H3
InChIKeyQXWSHMKMLCFFFV-UHFFFAOYSA-N
XLogP1.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 134791064) is 8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1CC2CCC(C1)N2S(=O)(=O)C1CC1.
What is the InChIKey of 8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is QXWSHMKMLCFFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-9(2)13-7-10-3-4-11(8-13)14(10)17(15,16)12-5-6-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 258.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 134791064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).