(3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane

C12H21NO4S — CID 97412242

IUPAC(3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1
InChIInChI=1S/C12H21NO4S/c1-16-10-8-12(17-9-10)4-6-13(7-5-12)18(14,15)11-2-3-11/h10-11H,2-9H2,1H3/t10-/m1/s1
InChIKeyGSXHOKPEMBBLPS-SNVBAGLBSA-N
MW275.37 g/mol
LogP0.75
Rot. Bonds3

About (3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane

(3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97412242) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is (3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID97412242
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Name(3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1
InChIInChI=1S/C12H21NO4S/c1-16-10-8-12(17-9-10)4-6-13(7-5-12)18(14,15)11-2-3-11/h10-11H,2-9H2,1H3/t10-/m1/s1
InChIKeyGSXHOKPEMBBLPS-SNVBAGLBSA-N
XLogP0.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane (CID 97412242) is (3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane is CO[C@H]1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1.
What is the InChIKey of (3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is GSXHOKPEMBBLPS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-16-10-8-12(17-9-10)4-6-13(7-5-12)18(14,15)11-2-3-11/h10-11H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 275.37 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-cyclopropylsulfonyl-3-methoxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97412242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).