(Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol

C17H25ClN2OS — CID 142174365

IUPAC(Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol
SMILESC=C(SCCN(C)C)N(C)/C(=C\C)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2OS/c1-6-16(17(21)14-7-9-15(18)10-8-14)20(5)13(2)22-12-11-19(3)4/h6-10,17,21H,2,11-12H2,1,3-5H3/b16-6-
InChIKeyWLKLEIHACPVUOE-SOFYXZRVSA-N
MW340.92 g/mol
LogP3.97
Rot. Bonds8

About (Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol

(Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol (PubChem CID 142174365) has the molecular formula C17H25ClN2OS and a molecular weight of 340.92 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol
PubChem CID142174365
Molecular FormulaC17H25ClN2OS
Molecular Weight340.92 g/mol
Exact Mass340.14
IUPAC Name(Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol
SMILESC=C(SCCN(C)C)N(C)/C(=C\C)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2OS/c1-6-16(17(21)14-7-9-15(18)10-8-14)20(5)13(2)22-12-11-19(3)4/h6-10,17,21H,2,11-12H2,1,3-5H3/b16-6-
InChIKeyWLKLEIHACPVUOE-SOFYXZRVSA-N
XLogP3.97
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol?
The IUPAC name of (Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol (CID 142174365) is (Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol is C=C(SCCN(C)C)N(C)/C(=C\C)C(O)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol?
The InChIKey is WLKLEIHACPVUOE-SOFYXZRVSA-N. The full InChI is InChI=1S/C17H25ClN2OS/c1-6-16(17(21)14-7-9-15(18)10-8-14)20(5)13(2)22-12-11-19(3)4/h6-10,17,21H,2,11-12H2,1,3-5H3/b16-6-.
What are the key properties of (Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol?
(Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol has a molecular weight of 340.92 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-2-[1-[2-(dimethylamino)ethylsulfanyl]ethenyl-methylamino]but-2-en-1-ol is sourced from PubChem (CID 142174365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).