(E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine

C19H23NOS — CID 10519280

IUPAC(E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine
SMILESCCN(CC)/C(=C/S(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NOS/c1-3-20(4-2)18(15-17-11-7-5-8-12-17)16-22(21)19-13-9-6-10-14-19/h5-14,16H,3-4,15H2,1-2H3/b18-16+
InChIKeyKBIGFZIBQGMSDJ-FBMGVBCBSA-N
MW313.47 g/mol
LogP4.22
Rot. Bonds7

About (E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine

(E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine (PubChem CID 10519280) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is (E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine
PubChem CID10519280
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name(E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine
SMILESCCN(CC)/C(=C/S(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NOS/c1-3-20(4-2)18(15-17-11-7-5-8-12-17)16-22(21)19-13-9-6-10-14-19/h5-14,16H,3-4,15H2,1-2H3/b18-16+
InChIKeyKBIGFZIBQGMSDJ-FBMGVBCBSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-(benzenesulfonyl)-N,N-diethyl-3-phenylprop-1-en-2-amine
CID 11034867
1-benzylsulfinyl-N,N-diethylformamide
CID 57071147
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene
CID 138974661
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
benzenesulfinylformaldehyde
CID 174391009

Frequently Asked Questions

What is the IUPAC name of (E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine?
The IUPAC name of (E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine (CID 10519280) is (E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine.
What is the SMILES notation for (E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine?
The canonical SMILES for (E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine is CCN(CC)/C(=C/S(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine?
The InChIKey is KBIGFZIBQGMSDJ-FBMGVBCBSA-N. The full InChI is InChI=1S/C19H23NOS/c1-3-20(4-2)18(15-17-11-7-5-8-12-17)16-22(21)19-13-9-6-10-14-19/h5-14,16H,3-4,15H2,1-2H3/b18-16+.
What are the key properties of (E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine?
(E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine has a molecular weight of 313.47 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine is sourced from PubChem (CID 10519280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).