ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine

C13H25NO2S — CID 143346666

IUPACethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine
SMILESC=C/C(=C(\C=C/CC)CNC)S(C)(=O)=O.CC
InChIInChI=1S/C11H19NO2S.C2H6/c1-5-7-8-10(9-12-3)11(6-2)15(4,13)14;1-2/h6-8,12H,2,5,9H2,1,3-4H3;1-2H3/b8-7-,11-10-;
InChIKeyIIZVEEAXWOSGSA-VRQRTIRHSA-N
MW259.41 g/mol
LogP2.68
Rot. Bonds6

About ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine

ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine (PubChem CID 143346666) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine.

Molecular Properties

Compound Nameethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine
PubChem CID143346666
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Nameethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine
SMILESC=C/C(=C(\C=C/CC)CNC)S(C)(=O)=O.CC
InChIInChI=1S/C11H19NO2S.C2H6/c1-5-7-8-10(9-12-3)11(6-2)15(4,13)14;1-2/h6-8,12H,2,5,9H2,1,3-4H3;1-2H3/b8-7-,11-10-;
InChIKeyIIZVEEAXWOSGSA-VRQRTIRHSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 90768156
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CID 123409379
(2Z,4E)-4-(methylaminomethyl)hexa-2,4-diene-1-sulfinate
CID 126636947
(2E,3Z)-2-ethylidene-5-ethylsulfonyl-N-methyl-N-propylhexa-3,5-dien-1-amine
CID 126636993
(2E,4E)-2-ethenyl-5-ethylsulfonylhexa-2,4-dien-1-amine
CID 129034983
N-methyl-1-(3-methylsulfonylcyclohexa-1,3-dien-1-yl)methanamine
CID 129171466
(E)-N,N-dimethyl-2-methylidene-5-[(E)-4-methylpent-2-en-2-yl]sulfonylpent-3-en-1-amine
CID 130473740
5-Methyl-6-(1-methylsulfonylethenyl)-1,2-dihydropyridine
CID 134404695
(3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide
CID 134550002
(2E,3E)-2-ethylidene-4-methylsulfonylhexa-3,5-dien-1-amine
CID 139418819
ethane;5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
CID 143342092
5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
CID 143342093

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine?
The IUPAC name of ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine (CID 143346666) is ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine.
What is the SMILES notation for ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine?
The canonical SMILES for ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine is C=C/C(=C(\C=C/CC)CNC)S(C)(=O)=O.CC.
What is the InChIKey of ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine?
The InChIKey is IIZVEEAXWOSGSA-VRQRTIRHSA-N. The full InChI is InChI=1S/C11H19NO2S.C2H6/c1-5-7-8-10(9-12-3)11(6-2)15(4,13)14;1-2/h6-8,12H,2,5,9H2,1,3-4H3;1-2H3/b8-7-,11-10-;.
What are the key properties of ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine?
ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine has a molecular weight of 259.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine is sourced from PubChem (CID 143346666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).