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

C9H18N2O2S — CID 139490198

IUPAC8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCS(=O)(=O)N1C2CCC1CNC2
InChIInChI=1S/C9H18N2O2S/c1-2-5-14(12,13)11-8-3-4-9(11)7-10-6-8/h8-10H,2-7H2,1H3
InChIKeyXGTILOCTZKTITB-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.16
Rot. Bonds3

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

8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 139490198) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID139490198
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCCS(=O)(=O)N1C2CCC1CNC2
InChIInChI=1S/C9H18N2O2S/c1-2-5-14(12,13)11-8-3-4-9(11)7-10-6-8/h8-10H,2-7H2,1H3
InChIKeyXGTILOCTZKTITB-UHFFFAOYSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane (CID 139490198) is 8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane is CCCS(=O)(=O)N1C2CCC1CNC2.
What is the InChIKey of 8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is XGTILOCTZKTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-5-14(12,13)11-8-3-4-9(11)7-10-6-8/h8-10H,2-7H2,1H3.
What are the key properties of 8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane?
8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 218.32 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propylsulfonyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 139490198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).