(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene

C26H28N2S — CID 143726733

IUPAC(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene
SMILESC=N/C(=C(/NC)SCc1ccccc1)c1ccccc1.c1ccc(C2CC2)cc1
InChIInChI=1S/C17H18N2S.C9H10/c1-18-16(15-11-7-4-8-12-15)17(19-2)20-13-14-9-5-3-6-10-14;1-2-4-8(5-3-1)9-6-7-9/h3-12,19H,1,13H2,2H3;1-5,9H,6-7H2/b17-16-;
InChIKeyWRXMISPZPSEJEQ-XYJRJTJESA-N
MW400.59 g/mol
LogP6.73
Rot. Bonds7

About (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene

(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene (PubChem CID 143726733) has the molecular formula C26H28N2S and a molecular weight of 400.59 g/mol. Its IUPAC name is (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene.

Molecular Properties

Compound Name(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene
PubChem CID143726733
Molecular FormulaC26H28N2S
Molecular Weight400.59 g/mol
Exact Mass400.20
IUPAC Name(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene
SMILESC=N/C(=C(/NC)SCc1ccccc1)c1ccccc1.c1ccc(C2CC2)cc1
InChIInChI=1S/C17H18N2S.C9H10/c1-18-16(15-11-7-4-8-12-15)17(19-2)20-13-14-9-5-3-6-10-14;1-2-4-8(5-3-1)9-6-7-9/h3-12,19H,1,13H2,2H3;1-5,9H,6-7H2/b17-16-;
InChIKeyWRXMISPZPSEJEQ-XYJRJTJESA-N
XLogP6.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-thiophen-2-ylethenamine
CID 143726633
benzene;cyclopropylbenzene
CID 144638417
cyclopropylbenzene;ethylhydrazine
CID 22346635
3-[bis(benzylsulfanyl)methylidene]bicyclo[2.2.1]heptan-2-one
CID 15363477
1-(methylaminomethyl)-4-phenylcyclohexan-1-ol
CID 62774871
1-fluoroethenylsulfanylmethylbenzene
CID 10877515
benzyl N-[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]-N-methylcarbamodithioate;hydrochloride
CID 18319967
N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103917259
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 119562932
(Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine
CID 143726609
1-ethyl-3-(4-phenylcyclohexyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111992588
1-(4-phenylcyclohexyl)propan-1-ol
CID 79298155

Frequently Asked Questions

What is the IUPAC name of (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene?
The IUPAC name of (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene (CID 143726733) is (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene.
What is the SMILES notation for (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene?
The canonical SMILES for (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene is C=N/C(=C(/NC)SCc1ccccc1)c1ccccc1.c1ccc(C2CC2)cc1.
What is the InChIKey of (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene?
The InChIKey is WRXMISPZPSEJEQ-XYJRJTJESA-N. The full InChI is InChI=1S/C17H18N2S.C9H10/c1-18-16(15-11-7-4-8-12-15)17(19-2)20-13-14-9-5-3-6-10-14;1-2-4-8(5-3-1)9-6-7-9/h3-12,19H,1,13H2,2H3;1-5,9H,6-7H2/b17-16-;.
What are the key properties of (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene?
(Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene has a molecular weight of 400.59 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-benzylsulfanyl-N-methyl-2-(methylideneamino)-2-phenylethenamine;cyclopropylbenzene is sourced from PubChem (CID 143726733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).