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

C11H22N2O2S — CID 70206365

IUPAC8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCCS(=O)(=O)N1C2CCC1CN(C(C)C)C2
InChIInChI=1S/C11H22N2O2S/c1-4-16(14,15)13-10-5-6-11(13)8-12(7-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyVUUCSGZGSZKXCV-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.89
Rot. Bonds3

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

8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 70206365) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID70206365
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCCS(=O)(=O)N1C2CCC1CN(C(C)C)C2
InChIInChI=1S/C11H22N2O2S/c1-4-16(14,15)13-10-5-6-11(13)8-12(7-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyVUUCSGZGSZKXCV-UHFFFAOYSA-N
XLogP0.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 70206365) is 8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CCS(=O)(=O)N1C2CCC1CN(C(C)C)C2.
What is the InChIKey of 8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is VUUCSGZGSZKXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-4-16(14,15)13-10-5-6-11(13)8-12(7-10)9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 246.38 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 70206365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).