but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol

C15H24N2S — CID 142838359

IUPACbut-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol
SMILESC=CCC.C=CCS.C=Cc1cccnc1NC
InChIInChI=1S/C8H10N2.C4H8.C3H6S/c1-3-7-5-4-6-10-8(7)9-2;1-3-4-2;1-2-3-4/h3-6H,1H2,2H3,(H,9,10);3H,1,4H2,2H3;2,4H,1,3H2
InChIKeySZZYLMWJTPSFCC-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.45
Rot. Bonds4

About but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol

but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol (PubChem CID 142838359) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol.

Molecular Properties

Compound Namebut-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol
PubChem CID142838359
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Namebut-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol
SMILESC=CCC.C=CCS.C=Cc1cccnc1NC
InChIInChI=1S/C8H10N2.C4H8.C3H6S/c1-3-7-5-4-6-10-8(7)9-2;1-3-4-2;1-2-3-4/h3-6H,1H2,2H3,(H,9,10);3H,1,4H2,2H3;2,4H,1,3H2
InChIKeySZZYLMWJTPSFCC-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol?
The IUPAC name of but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol (CID 142838359) is but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol.
What is the SMILES notation for but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol?
The canonical SMILES for but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol is C=CCC.C=CCS.C=Cc1cccnc1NC.
What is the InChIKey of but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol?
The InChIKey is SZZYLMWJTPSFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C4H8.C3H6S/c1-3-7-5-4-6-10-8(7)9-2;1-3-4-2;1-2-3-4/h3-6H,1H2,2H3,(H,9,10);3H,1,4H2,2H3;2,4H,1,3H2.
What are the key properties of but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol?
but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol has a molecular weight of 264.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;3-ethenyl-N-methylpyridin-2-amine;prop-2-ene-1-thiol is sourced from PubChem (CID 142838359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).