(3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane

C10H19NO4S — CID 97371517

IUPAC(3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@@H]1COC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C10H19NO4S/c1-14-9-7-10(15-8-9)3-5-11(6-4-10)16(2,12)13/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyRBKPOFDMMXWARQ-VIFPVBQESA-N
MW249.33 g/mol
LogP0.22
Rot. Bonds2

About (3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane

(3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97371517) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is (3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID97371517
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name(3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@@H]1COC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C10H19NO4S/c1-14-9-7-10(15-8-9)3-5-11(6-4-10)16(2,12)13/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyRBKPOFDMMXWARQ-VIFPVBQESA-N
XLogP0.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 97371517) is (3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane is CO[C@@H]1COC2(CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of (3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is RBKPOFDMMXWARQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO4S/c1-14-9-7-10(15-8-9)3-5-11(6-4-10)16(2,12)13/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 249.33 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97371517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).