(Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine

C14H22N2S — CID 6434822

IUPAC(Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine
SMILESCN(C)C/C=C(/CN(C)C)Sc1ccccc1
InChIInChI=1S/C14H22N2S/c1-15(2)11-10-14(12-16(3)4)17-13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3/b14-10-
InChIKeyHSWMXLXOAFVRJE-UVTDQMKNSA-N
MW250.41 g/mol
LogP2.79
Rot. Bonds6

About (Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine

(Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine (PubChem CID 6434822) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is (Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine
PubChem CID6434822
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name(Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine
SMILESCN(C)C/C=C(/CN(C)C)Sc1ccccc1
InChIInChI=1S/C14H22N2S/c1-15(2)11-10-14(12-16(3)4)17-13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3/b14-10-
InChIKeyHSWMXLXOAFVRJE-UVTDQMKNSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine?
The IUPAC name of (Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine (CID 6434822) is (Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine.
What is the SMILES notation for (Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine?
The canonical SMILES for (Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine is CN(C)C/C=C(/CN(C)C)Sc1ccccc1.
What is the InChIKey of (Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine?
The InChIKey is HSWMXLXOAFVRJE-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H22N2S/c1-15(2)11-10-14(12-16(3)4)17-13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3/b14-10-.
What are the key properties of (Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine?
(Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine has a molecular weight of 250.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N,N',N'-tetramethyl-2-phenylsulfanylbut-2-ene-1,4-diamine is sourced from PubChem (CID 6434822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).