2-(1-methylpiperidin-2-yl)ethanethiol

C8H17NS — CID 13452609

IUPAC2-(1-methylpiperidin-2-yl)ethanethiol
SMILESCN1CCCCC1CCS
InChIInChI=1S/C8H17NS/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3
InChIKeyODXHBJQWNZORHA-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.79
Rot. Bonds2

About 2-(1-methylpiperidin-2-yl)ethanethiol

2-(1-methylpiperidin-2-yl)ethanethiol (PubChem CID 13452609) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)ethanethiol
PubChem CID13452609
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(1-methylpiperidin-2-yl)ethanethiol
SMILESCN1CCCCC1CCS
InChIInChI=1S/C8H17NS/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3
InChIKeyODXHBJQWNZORHA-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3-thiol
CID 71623730
1-(Dithiolan-4-yl)-1-methylpiperidin-1-ium
CID 207879
1-(Ethylsulfanylmethyl)-2-propylpiperidine
CID 259083
2-(1-Methylpiperidin-1-ium-1-yl)ethanethiol iodide
CID 2829655
3-(N-Piperidinyl)propanethiol
CID 418443
4-Piperidin-1-ylbutane-1-thiol
CID 418444
2-(1-Methylpiperidin-1-ium-1-yl)ethanethiol
CID 785612
(1-Methylpiperidin-2-yl)methanethiol
CID 10701949
1-Cyclohexylsulfanyl-2-methylpiperidine
CID 12473927
I+/--Methyl-1-piperidineethanethiol
CID 13049110
(2S)-1-[cyclohexyl(methyl)amino]propane-2-thiol
CID 14857876
5-Piperidin-1-ylpentane-1-thiol
CID 17766557

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)ethanethiol?
The IUPAC name of 2-(1-methylpiperidin-2-yl)ethanethiol (CID 13452609) is 2-(1-methylpiperidin-2-yl)ethanethiol.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)ethanethiol?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)ethanethiol is CN1CCCCC1CCS.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)ethanethiol?
The InChIKey is ODXHBJQWNZORHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)ethanethiol?
2-(1-methylpiperidin-2-yl)ethanethiol has a molecular weight of 159.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)ethanethiol is sourced from PubChem (CID 13452609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).