(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine

C15H16N2S2 — CID 143726633

IUPAC(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine
SMILESC=N/C(=C(/NC)SCc1ccccc1)c1cccs1
InChIInChI=1S/C15H16N2S2/c1-16-14(13-9-6-10-18-13)15(17-2)19-11-12-7-4-3-5-8-12/h3-10,17H,1,11H2,2H3/b15-14-
InChIKeyKCUFKMJUUIQCFZ-PFONDFGASA-N
MW288.44 g/mol
LogP4.23
Rot. Bonds6

About (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine

(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine (PubChem CID 143726633) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine.

Molecular Properties

Compound Name(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine
PubChem CID143726633
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine
SMILESC=N/C(=C(/NC)SCc1ccccc1)c1cccs1
InChIInChI=1S/C15H16N2S2/c1-16-14(13-9-6-10-18-13)15(17-2)19-11-12-7-4-3-5-8-12/h3-10,17H,1,11H2,2H3/b15-14-
InChIKeyKCUFKMJUUIQCFZ-PFONDFGASA-N
XLogP4.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine?
The IUPAC name of (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine (CID 143726633) is (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine.
What is the SMILES notation for (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine?
The canonical SMILES for (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine is C=N/C(=C(/NC)SCc1ccccc1)c1cccs1.
What is the InChIKey of (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine?
The InChIKey is KCUFKMJUUIQCFZ-PFONDFGASA-N. The full InChI is InChI=1S/C15H16N2S2/c1-16-14(13-9-6-10-18-13)15(17-2)19-11-12-7-4-3-5-8-12/h3-10,17H,1,11H2,2H3/b15-14-.
What are the key properties of (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine?
(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine has a molecular weight of 288.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine is sourced from PubChem (CID 143726633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).