2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol

C8H15NS — CID 117205651

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol
SMILESCN1CCC=C(CCS)C1
InChIInChI=1S/C8H15NS/c1-9-5-2-3-8(7-9)4-6-10/h3,10H,2,4-7H2,1H3
InChIKeyYCCWSEATUQCRLZ-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.57
Rot. Bonds2

About 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol

2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol (PubChem CID 117205651) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol
PubChem CID117205651
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol
SMILESCN1CCC=C(CCS)C1
InChIInChI=1S/C8H15NS/c1-9-5-2-3-8(7-9)4-6-10/h3,10H,2,4-7H2,1H3
InChIKeyYCCWSEATUQCRLZ-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol (CID 117205651) is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol is CN1CCC=C(CCS)C1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol?
The InChIKey is YCCWSEATUQCRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-9-5-2-3-8(7-9)4-6-10/h3,10H,2,4-7H2,1H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol?
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol has a molecular weight of 157.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanethiol is sourced from PubChem (CID 117205651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).