(5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C13H26N2O4S — CID 97406862

IUPAC(5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCCS(=O)(=O)N1CCOC[C@]2(CCN(CCOC)C2)C1
InChIInChI=1S/C13H26N2O4S/c1-3-20(16,17)15-7-9-19-12-13(11-15)4-5-14(10-13)6-8-18-2/h3-12H2,1-2H3/t13-/m0/s1
InChIKeyGWFCCZIXJTWFFF-ZDUSSCGKSA-N
MW306.43 g/mol
LogP0.01
Rot. Bonds5

About (5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97406862) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is (5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97406862
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name(5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCCS(=O)(=O)N1CCOC[C@]2(CCN(CCOC)C2)C1
InChIInChI=1S/C13H26N2O4S/c1-3-20(16,17)15-7-9-19-12-13(11-15)4-5-14(10-13)6-8-18-2/h3-12H2,1-2H3/t13-/m0/s1
InChIKeyGWFCCZIXJTWFFF-ZDUSSCGKSA-N
XLogP0.01
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97406862) is (5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is CCS(=O)(=O)N1CCOC[C@]2(CCN(CCOC)C2)C1.
What is the InChIKey of (5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is GWFCCZIXJTWFFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-3-20(16,17)15-7-9-19-12-13(11-15)4-5-14(10-13)6-8-18-2/h3-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 306.43 g/mol, XLogP of 0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97406862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).