8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane

C9H16N2O2S — CID 139490344

IUPAC8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane
SMILESO=S(=O)(C1CC1)N1C2CCC1CNC2
InChIInChI=1S/C9H16N2O2S/c12-14(13,9-3-4-9)11-7-1-2-8(11)6-10-5-7/h7-10H,1-6H2
InChIKeyDFTLDMUXIUNPNA-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.09
Rot. Bonds2

About 8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane

8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 139490344) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID139490344
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane
SMILESO=S(=O)(C1CC1)N1C2CCC1CNC2
InChIInChI=1S/C9H16N2O2S/c12-14(13,9-3-4-9)11-7-1-2-8(11)6-10-5-7/h7-10H,1-6H2
InChIKeyDFTLDMUXIUNPNA-UHFFFAOYSA-N
XLogP-0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane (CID 139490344) is 8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane is O=S(=O)(C1CC1)N1C2CCC1CNC2.
What is the InChIKey of 8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is DFTLDMUXIUNPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c12-14(13,9-3-4-9)11-7-1-2-8(11)6-10-5-7/h7-10H,1-6H2.
What are the key properties of 8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 216.31 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylsulfonyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 139490344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).