3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one

C12H20O3S — CID 79912456

IUPAC3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
SMILESCOCCC(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H20O3S/c1-14-5-3-11(13)10-2-6-15-12(8-10)4-7-16-9-12/h10H,2-9H2,1H3
InChIKeyPYTOVKCNOSYLTQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.89
Rot. Bonds4

About 3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one

3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one (PubChem CID 79912456) has the molecular formula C12H20O3S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
PubChem CID79912456
Molecular FormulaC12H20O3S
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
SMILESCOCCC(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H20O3S/c1-14-5-3-11(13)10-2-6-15-12(8-10)4-7-16-9-12/h10H,2-9H2,1H3
InChIKeyPYTOVKCNOSYLTQ-UHFFFAOYSA-N
XLogP1.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
The IUPAC name of 3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one (CID 79912456) is 3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one is COCCC(=O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
The InChIKey is PYTOVKCNOSYLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S/c1-14-5-3-11(13)10-2-6-15-12(8-10)4-7-16-9-12/h10H,2-9H2,1H3.
What are the key properties of 3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one?
3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one has a molecular weight of 244.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one is sourced from PubChem (CID 79912456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).