8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane

C13H23NO2S — CID 76779547

IUPAC8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1CC2CCC(C1)N2S(=O)(=O)C1CC1
InChIInChI=1S/C13H23NO2S/c1-9(2)10-7-11-3-4-12(8-10)14(11)17(15,16)13-5-6-13/h9-13H,3-8H2,1-2H3
InChIKeyHKHBDFUKFPKERN-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.38
Rot. Bonds3

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

8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 76779547) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID76779547
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1CC2CCC(C1)N2S(=O)(=O)C1CC1
InChIInChI=1S/C13H23NO2S/c1-9(2)10-7-11-3-4-12(8-10)14(11)17(15,16)13-5-6-13/h9-13H,3-8H2,1-2H3
InChIKeyHKHBDFUKFPKERN-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 76779547) is 8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)C1CC2CCC(C1)N2S(=O)(=O)C1CC1.
What is the InChIKey of 8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is HKHBDFUKFPKERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-9(2)10-7-11-3-4-12(8-10)14(11)17(15,16)13-5-6-13/h9-13H,3-8H2,1-2H3.
What are the key properties of 8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane?
8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 257.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 76779547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).