1-ethylpiperidine-2-thiol

C7H15NS — CID 88741057

IUPAC1-ethylpiperidine-2-thiol
SMILESCCN1CCCCC1S
InChIInChI=1S/C7H15NS/c1-2-8-6-4-3-5-7(8)9/h7,9H,2-6H2,1H3
InChIKeyLWOPTVGWQUMMFH-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.75
Rot. Bonds1

About 1-ethylpiperidine-2-thiol

1-ethylpiperidine-2-thiol (PubChem CID 88741057) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-ethylpiperidine-2-thiol.

Molecular Properties

Compound Name1-ethylpiperidine-2-thiol
PubChem CID88741057
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-ethylpiperidine-2-thiol
SMILESCCN1CCCCC1S
InChIInChI=1S/C7H15NS/c1-2-8-6-4-3-5-7(8)9/h7,9H,2-6H2,1H3
InChIKeyLWOPTVGWQUMMFH-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.75
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

1,2-diethylpiperidine
CID 19604037
ethane;1-ethyl-2-methylazepane
CID 145020951
(1-ethylpyrrolidin-2-yl)-λ2-stannane
CID 174710208
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
(1-ethylazepan-2-yl)methanol
CID 2849413
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
1-ethyl-2-phenylazepane
CID 59678181
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-ethyl-2-hexadecylpiperidine
CID 159279911
1-ethyl-N,3-dimethylazepan-2-amine
CID 145261139

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine-2-thiol?
The IUPAC name of 1-ethylpiperidine-2-thiol (CID 88741057) is 1-ethylpiperidine-2-thiol.
What is the SMILES notation for 1-ethylpiperidine-2-thiol?
The canonical SMILES for 1-ethylpiperidine-2-thiol is CCN1CCCCC1S.
What is the InChIKey of 1-ethylpiperidine-2-thiol?
The InChIKey is LWOPTVGWQUMMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-8-6-4-3-5-7(8)9/h7,9H,2-6H2,1H3.
What are the key properties of 1-ethylpiperidine-2-thiol?
1-ethylpiperidine-2-thiol has a molecular weight of 145.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine-2-thiol is sourced from PubChem (CID 88741057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).