5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol

C10H21NOS — CID 130941612

IUPAC5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol
SMILESCC(CS)CN1CC(C)CC(O)C1
InChIInChI=1S/C10H21NOS/c1-8-3-10(12)6-11(4-8)5-9(2)7-13/h8-10,12-13H,3-7H2,1-2H3
InChIKeyZHAFROWHDMYAMY-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.25
Rot. Bonds3

About 5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol

5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol (PubChem CID 130941612) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol.

Molecular Properties

Compound Name5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol
PubChem CID130941612
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol
SMILESCC(CS)CN1CC(C)CC(O)C1
InChIInChI=1S/C10H21NOS/c1-8-3-10(12)6-11(4-8)5-9(2)7-13/h8-10,12-13H,3-7H2,1-2H3
InChIKeyZHAFROWHDMYAMY-UHFFFAOYSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-t-butyl-5-methyl-3-piperidol
CID 3557594
5-Methyl-1-(1-methylethyl)-3-piperidinol
CID 3874539
(3R,4S)-4-fluoro-1-(1-sulfanylpropan-2-yl)piperidin-3-ol
CID 156171979
(3R,4R)-4-fluoro-1-(1-sulfanylpropan-2-yl)piperidin-3-ol
CID 156171981
1-Ethyl-5-methylpiperidin-3-ol
CID 3933831
1-(2-Fluoroethyl)-5-methylpiperidin-3-ol
CID 130802757
(3R,5S)-5-methyl-1-propan-2-ylpiperidin-3-ol
CID 1415651
(3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol
CID 1415666
(3R,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 6556848
(3R,5R)-1-tert-butyl-5-methylpiperidin-3-ol
CID 6556851
(3S,5R)-1-ethyl-5-methylpiperidin-3-ol
CID 7201252
(3S,5R)-1-tert-butyl-5-methylpiperidin-3-ol
CID 7201260

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol?
The IUPAC name of 5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol (CID 130941612) is 5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol.
What is the SMILES notation for 5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol?
The canonical SMILES for 5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol is CC(CS)CN1CC(C)CC(O)C1.
What is the InChIKey of 5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol?
The InChIKey is ZHAFROWHDMYAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8-3-10(12)6-11(4-8)5-9(2)7-13/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol?
5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol has a molecular weight of 203.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol is sourced from PubChem (CID 130941612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).