(8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane

C12H24N2O3S — CID 122651279

IUPAC(8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane
SMILESCCS(=O)(=O)N1CCCCN2[C@H](COC)C[C@@H]2C1
InChIInChI=1S/C12H24N2O3S/c1-3-18(15,16)13-6-4-5-7-14-11(9-13)8-12(14)10-17-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyXWPGBTBWPIIHNR-NEPJUHHUSA-N
MW276.40 g/mol
LogP0.52
Rot. Bonds4

About (8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane

(8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane (PubChem CID 122651279) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is (8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane.

Molecular Properties

Compound Name(8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane
PubChem CID122651279
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name(8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane
SMILESCCS(=O)(=O)N1CCCCN2[C@H](COC)C[C@@H]2C1
InChIInChI=1S/C12H24N2O3S/c1-3-18(15,16)13-6-4-5-7-14-11(9-13)8-12(14)10-17-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyXWPGBTBWPIIHNR-NEPJUHHUSA-N
XLogP0.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane?
The IUPAC name of (8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane (CID 122651279) is (8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane.
What is the SMILES notation for (8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane?
The canonical SMILES for (8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane is CCS(=O)(=O)N1CCCCN2[C@H](COC)C[C@@H]2C1.
What is the InChIKey of (8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane?
The InChIKey is XWPGBTBWPIIHNR-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-18(15,16)13-6-4-5-7-14-11(9-13)8-12(14)10-17-2/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane?
(8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane has a molecular weight of 276.40 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,10S)-6-ethylsulfonyl-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decane is sourced from PubChem (CID 122651279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).