(Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine

C16H23NO2S — CID 132584380

IUPAC(Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine
SMILESC=C/C(=C\C)CCN(C)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO2S/c1-5-15(6-2)11-12-17(4)13-20(18,19)16-9-7-14(3)8-10-16/h5-10H,1,11-13H2,2-4H3/b15-6+
InChIKeyRFHXHYACBPYDQY-GIDUJCDVSA-N
MW293.43 g/mol
LogP3.18
Rot. Bonds7

About (Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine

(Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine (PubChem CID 132584380) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is (Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine
PubChem CID132584380
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name(Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine
SMILESC=C/C(=C\C)CCN(C)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO2S/c1-5-15(6-2)11-12-17(4)13-20(18,19)16-9-7-14(3)8-10-16/h5-10H,1,11-13H2,2-4H3/b15-6+
InChIKeyRFHXHYACBPYDQY-GIDUJCDVSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;1-methyl-4-prop-2-enylsulfonylbenzene
CID 159550827
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2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoic acid;bis(prop-1-ene)
CID 144994130
1-(4-methylphenyl)sulfonylhex-5-en-2-one
CID 71446085
2-(4-methylphenyl)sulfonylethanesulfonic acid
CID 21412922
3-(4-methylphenyl)sulfonyl-2-oxopropanal
CID 174250948
2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide
CID 17309433
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
6-(4-methylphenyl)sulfonylhex-1-ene-3,4-diol
CID 159982191
N-ethyl-N-methylethanamine;4-methylbenzenesulfonic acid
CID 71445382
3-[4-(4-methylphenyl)phenyl]sulfonylpropanoyl chloride
CID 58392608
4-methyl-N-(3-oxobutyl)-N-prop-2-enylbenzenesulfonamide
CID 102089023

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine?
The IUPAC name of (Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine (CID 132584380) is (Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine?
The canonical SMILES for (Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine is C=C/C(=C\C)CCN(C)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine?
The InChIKey is RFHXHYACBPYDQY-GIDUJCDVSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-5-15(6-2)11-12-17(4)13-20(18,19)16-9-7-14(3)8-10-16/h5-10H,1,11-13H2,2-4H3/b15-6+.
What are the key properties of (Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine?
(Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine has a molecular weight of 293.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenyl-N-methyl-N-[(4-methylphenyl)sulfonylmethyl]pent-3-en-1-amine is sourced from PubChem (CID 132584380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).