4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol

C11H23NOS — CID 102969155

IUPAC4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol
SMILESCCC(CS)CN1CCC(C)C(O)C1
InChIInChI=1S/C11H23NOS/c1-3-10(8-14)6-12-5-4-9(2)11(13)7-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyAYGHJOPAMHLFHV-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.65
Rot. Bonds4

About 4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol

4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol (PubChem CID 102969155) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol
PubChem CID102969155
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol
SMILESCCC(CS)CN1CCC(C)C(O)C1
InChIInChI=1S/C11H23NOS/c1-3-10(8-14)6-12-5-4-9(2)11(13)7-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyAYGHJOPAMHLFHV-UHFFFAOYSA-N
XLogP1.65
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol 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-[(3,4,5-trimethylpiperazin-1-yl)methyl]butane-1-thiol
CID 114541064
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]butane-1-thiol
CID 106590065
1-(2-ethylbutyl)piperidine-3,4-dicarboxylic acid
CID 112568227
1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol
CID 102956090
1-(3-bromopropyl)-4-methylpiperidin-3-ol
CID 102964330
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415
4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-3-ol
CID 103898055
4-methyl-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 103898114
N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(2-methylprop-2-enyl)acetamide
CID 113348089
N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-phenylpropanimidamide
CID 102958325
1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
CID 114499149

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol (CID 102969155) is 4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol is CCC(CS)CN1CCC(C)C(O)C1.
What is the InChIKey of 4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol?
The InChIKey is AYGHJOPAMHLFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-10(8-14)6-12-5-4-9(2)11(13)7-12/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol?
4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol has a molecular weight of 217.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(sulfanylmethyl)butyl]piperidin-3-ol is sourced from PubChem (CID 102969155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).