3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol

C8H17NO2S — CID 130495487

IUPAC3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCNCC1SCCO
InChIInChI=1S/C8H17NO2S/c1-8(11)2-3-9-6-7(8)12-5-4-10/h7,9-11H,2-6H2,1H3
InChIKeyUQTWHGXEZVRSEX-UHFFFAOYSA-N
MW191.30 g/mol
LogP-0.18
Rot. Bonds3

About 3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol

3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol (PubChem CID 130495487) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol
PubChem CID130495487
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCNCC1SCCO
InChIInChI=1S/C8H17NO2S/c1-8(11)2-3-9-6-7(8)12-5-4-10/h7,9-11H,2-6H2,1H3
InChIKeyUQTWHGXEZVRSEX-UHFFFAOYSA-N
XLogP-0.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanylacetamide
CID 130495510
2-(4-hydroxy-4-methylpiperidin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 114249946
(3R,4S)-4-methylpiperidine-3,4-diol
CID 55285415
(3R)-3,4-dimethylpiperidin-4-ol
CID 153404832
(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile
CID 130972078
4-methyl-3-(2-methylpropoxy)piperidin-4-ol
CID 130495455
2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfanyl]ethanol
CID 6572867
4-methyl-3-(morpholin-4-ylmethyl)piperidin-4-ol
CID 105467939
3-(3,3-dimethylazetidin-1-yl)-4-methylpiperidin-4-ol
CID 130746790
4-methyl-3-propan-2-ylsulfonylpiperidin-4-ol
CID 130526877
3-pyrrolidin-3-ylsulfanylpropan-1-ol
CID 66127251
3,4-dimethylazepan-4-ol;hydrochloride
CID 118798621

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol?
The IUPAC name of 3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol (CID 130495487) is 3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol is CC1(O)CCNCC1SCCO.
What is the InChIKey of 3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol?
The InChIKey is UQTWHGXEZVRSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(11)2-3-9-6-7(8)12-5-4-10/h7,9-11H,2-6H2,1H3.
What are the key properties of 3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol?
3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol has a molecular weight of 191.30 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylsulfanyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 130495487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).