3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol

C11H20O2S2 — CID 79899699

IUPAC3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol
SMILESOCCCSC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H20O2S2/c12-4-1-6-15-10-2-5-13-11(8-10)3-7-14-9-11/h10,12H,1-9H2
InChIKeyFTIJVDURBPJXGX-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.16
Rot. Bonds4

About 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol

3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol (PubChem CID 79899699) has the molecular formula C11H20O2S2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol
PubChem CID79899699
Molecular FormulaC11H20O2S2
Molecular Weight248.41 g/mol
Exact Mass248.09
IUPAC Name3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol
SMILESOCCCSC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H20O2S2/c12-4-1-6-15-10-2-5-13-11(8-10)3-7-14-9-11/h10,12H,1-9H2
InChIKeyFTIJVDURBPJXGX-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine
CID 79905629
2-amino-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)butanoic acid
CID 79905978
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 79922491
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906078
2-formamido-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)butanoic acid
CID 79906053
1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906005
2-acetamido-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propanoic acid
CID 79905395
(2R)-2-amino-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propanoic acid
CID 79906197
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-one
CID 79894494
1-[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)phenyl]ethanone
CID 79923079
2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79921016
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol?
The IUPAC name of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol (CID 79899699) is 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol is OCCCSC1CCOC2(CCSC2)C1.
What is the InChIKey of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol?
The InChIKey is FTIJVDURBPJXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S2/c12-4-1-6-15-10-2-5-13-11(8-10)3-7-14-9-11/h10,12H,1-9H2.
What are the key properties of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol?
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol has a molecular weight of 248.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 79899699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).