3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol

C15H28O3S — CID 103459601

IUPAC3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
SMILESCCC(CC)C(O)C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H28O3S/c1-3-11(4-2)13(16)14(17)12-5-7-18-15(9-12)6-8-19-10-15/h11-14,16-17H,3-10H2,1-2H3
InChIKeyRNIWHFFQNMZCOJ-UHFFFAOYSA-N
MW288.45 g/mol
LogP2.45
Rot. Bonds5

About 3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol

3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol (PubChem CID 103459601) has the molecular formula C15H28O3S and a molecular weight of 288.45 g/mol. Its IUPAC name is 3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol.

Molecular Properties

Compound Name3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
PubChem CID103459601
Molecular FormulaC15H28O3S
Molecular Weight288.45 g/mol
Exact Mass288.18
IUPAC Name3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
SMILESCCC(CC)C(O)C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H28O3S/c1-3-11(4-2)13(16)14(17)12-5-7-18-15(9-12)6-8-19-10-15/h11-14,16-17H,3-10H2,1-2H3
InChIKeyRNIWHFFQNMZCOJ-UHFFFAOYSA-N
XLogP2.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 107443240
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79910778
2,2-diethoxy-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911289
N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457
[1-(dimethylamino)cyclopentyl]-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921312

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol?
The IUPAC name of 3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol (CID 103459601) is 3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol.
What is the SMILES notation for 3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol?
The canonical SMILES for 3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol is CCC(CC)C(O)C(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol?
The InChIKey is RNIWHFFQNMZCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3S/c1-3-11(4-2)13(16)14(17)12-5-7-18-15(9-12)6-8-19-10-15/h11-14,16-17H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol?
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol has a molecular weight of 288.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol is sourced from PubChem (CID 103459601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).