(Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol

C11H13NS — CID 155095946

IUPAC(Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol
SMILESC/C(=C/S)c1cc(C2CC2)ccn1
InChIInChI=1S/C11H13NS/c1-8(7-13)11-6-10(4-5-12-11)9-2-3-9/h4-7,9,13H,2-3H2,1H3/b8-7-
InChIKeyLDIKSUASTZXLIK-FPLPWBNLSA-N
MW191.30 g/mol
LogP3.25
Rot. Bonds2

About (Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol

(Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol (PubChem CID 155095946) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is (Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol
PubChem CID155095946
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name(Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol
SMILESC/C(=C/S)c1cc(C2CC2)ccn1
InChIInChI=1S/C11H13NS/c1-8(7-13)11-6-10(4-5-12-11)9-2-3-9/h4-7,9,13H,2-3H2,1H3/b8-7-
InChIKeyLDIKSUASTZXLIK-FPLPWBNLSA-N
XLogP3.25
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol?
The IUPAC name of (Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol (CID 155095946) is (Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol.
What is the SMILES notation for (Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol?
The canonical SMILES for (Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol is C/C(=C/S)c1cc(C2CC2)ccn1.
What is the InChIKey of (Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol?
The InChIKey is LDIKSUASTZXLIK-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H13NS/c1-8(7-13)11-6-10(4-5-12-11)9-2-3-9/h4-7,9,13H,2-3H2,1H3/b8-7-.
What are the key properties of (Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol?
(Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol has a molecular weight of 191.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-cyclopropyl-2-pyridinyl)prop-1-ene-1-thiol is sourced from PubChem (CID 155095946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).