8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane

C9H18N2O2S — CID 67568504

IUPAC8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCS(=O)(=O)N1C2CCC1CN(C)C2
InChIInChI=1S/C9H18N2O2S/c1-3-14(12,13)11-8-4-5-9(11)7-10(2)6-8/h8-9H,3-7H2,1-2H3
InChIKeyLDNMNQMINCLOGK-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.11
Rot. Bonds2

About 8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane

8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 67568504) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID67568504
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCCS(=O)(=O)N1C2CCC1CN(C)C2
InChIInChI=1S/C9H18N2O2S/c1-3-14(12,13)11-8-4-5-9(11)7-10(2)6-8/h8-9H,3-7H2,1-2H3
InChIKeyLDNMNQMINCLOGK-UHFFFAOYSA-N
XLogP0.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane (CID 67568504) is 8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane is CCS(=O)(=O)N1C2CCC1CN(C)C2.
What is the InChIKey of 8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is LDNMNQMINCLOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-3-14(12,13)11-8-4-5-9(11)7-10(2)6-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane?
8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 218.32 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 67568504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).