(E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine

C17H21NO2S — CID 17290663

IUPAC(E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine
SMILESCCN(CC)C/C=C/S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2S/c1-3-18(4-2)12-7-13-21(19,20)17-11-10-15-8-5-6-9-16(15)14-17/h5-11,13-14H,3-4,12H2,1-2H3/b13-7+
InChIKeyXLSLBZYVDFPWKW-NTUHNPAUSA-N
MW303.43 g/mol
LogP3.47
Rot. Bonds6

About (E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine

(E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine (PubChem CID 17290663) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine
PubChem CID17290663
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name(E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine
SMILESCCN(CC)C/C=C/S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2S/c1-3-18(4-2)12-7-13-21(19,20)17-11-10-15-8-5-6-9-16(15)14-17/h5-11,13-14H,3-4,12H2,1-2H3/b13-7+
InChIKeyXLSLBZYVDFPWKW-NTUHNPAUSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913
N-ethyl-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 115755343
ethyl naphthalene-2-sulfonate;iron
CID 87451141
N-[3-(diethylamino)-2-hydroxypropyl]-N-phenylnaphthalene-2-sulfonamide
CID 2915137
Dispersing Agent NNO
CID 156594502
naphthalen-2-ylsulfonyl N,N-diethylcarbamodithioate
CID 101047827
2-(3-methylphenyl)-5-(3-naphthalen-2-ylsulfonylprop-2-enylsulfanyl)-1,3,4-oxadiazole
CID 3418647
naphthalene-2-sulfonic acid
CID 8420
N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine (CID 17290663) is (E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine is CCN(CC)C/C=C/S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine?
The InChIKey is XLSLBZYVDFPWKW-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-3-18(4-2)12-7-13-21(19,20)17-11-10-15-8-5-6-9-16(15)14-17/h5-11,13-14H,3-4,12H2,1-2H3/b13-7+.
What are the key properties of (E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine?
(E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine has a molecular weight of 303.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-naphthalen-2-ylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 17290663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).