(Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol

C9H15NS — CID 90308460

IUPAC(Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol
SMILESCC1=C(/C(C)=C\S)CCNC1
InChIInChI=1S/C9H15NS/c1-7-5-10-4-3-9(7)8(2)6-11/h6,10-11H,3-5H2,1-2H3/b8-6-
InChIKeyGRMCMVNJJDTEFT-VURMDHGXSA-N
MW169.29 g/mol
LogP2.13
Rot. Bonds1

About (Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol

(Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol (PubChem CID 90308460) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol
PubChem CID90308460
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol
SMILESCC1=C(/C(C)=C\S)CCNC1
InChIInChI=1S/C9H15NS/c1-7-5-10-4-3-9(7)8(2)6-11/h6,10-11H,3-5H2,1-2H3/b8-6-
InChIKeyGRMCMVNJJDTEFT-VURMDHGXSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol?
The IUPAC name of (Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol (CID 90308460) is (Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol.
What is the SMILES notation for (Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol?
The canonical SMILES for (Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol is CC1=C(/C(C)=C\S)CCNC1.
What is the InChIKey of (Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol?
The InChIKey is GRMCMVNJJDTEFT-VURMDHGXSA-N. The full InChI is InChI=1S/C9H15NS/c1-7-5-10-4-3-9(7)8(2)6-11/h6,10-11H,3-5H2,1-2H3/b8-6-.
What are the key properties of (Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol?
(Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol has a molecular weight of 169.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-ene-1-thiol is sourced from PubChem (CID 90308460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).