(3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane

C12H23NO4S — CID 97371485

IUPAC(3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCO[C@@H]1COC2(CCN(S(=O)(=O)CC)CC2)C1
InChIInChI=1S/C12H23NO4S/c1-3-16-11-9-12(17-10-11)5-7-13(8-6-12)18(14,15)4-2/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyBWIKAYRYVCHKBH-NSHDSACASA-N
MW277.39 g/mol
LogP1.00
Rot. Bonds4

About (3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane

(3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97371485) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is (3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID97371485
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name(3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCCO[C@@H]1COC2(CCN(S(=O)(=O)CC)CC2)C1
InChIInChI=1S/C12H23NO4S/c1-3-16-11-9-12(17-10-11)5-7-13(8-6-12)18(14,15)4-2/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyBWIKAYRYVCHKBH-NSHDSACASA-N
XLogP1.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 97371485) is (3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane is CCO[C@@H]1COC2(CCN(S(=O)(=O)CC)CC2)C1.
What is the InChIKey of (3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is BWIKAYRYVCHKBH-NSHDSACASA-N. The full InChI is InChI=1S/C12H23NO4S/c1-3-16-11-9-12(17-10-11)5-7-13(8-6-12)18(14,15)4-2/h11H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 277.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxy-8-ethylsulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97371485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).