(3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide

C10H18N2O2S — CID 134550002

IUPAC(3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide
SMILESC=C(/C=C\C(=C/C)CNC)S(=O)(=O)NC
InChIInChI=1S/C10H18N2O2S/c1-5-10(8-11-3)7-6-9(2)15(13,14)12-4/h5-7,11-12H,2,8H2,1,3-4H3/b7-6-,10-5+
InChIKeyJITHXYAOJZCBSL-JQEGGOPCSA-N
MW230.33 g/mol
LogP0.77
Rot. Bonds6

About (3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide

(3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide (PubChem CID 134550002) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is (3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide.

Molecular Properties

Compound Name(3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide
PubChem CID134550002
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name(3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide
SMILESC=C(/C=C\C(=C/C)CNC)S(=O)(=O)NC
InChIInChI=1S/C10H18N2O2S/c1-5-10(8-11-3)7-6-9(2)15(13,14)12-4/h5-7,11-12H,2,8H2,1,3-4H3/b7-6-,10-5+
InChIKeyJITHXYAOJZCBSL-JQEGGOPCSA-N
XLogP0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
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 89940500
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(2Z,4E)-4-(methylaminomethyl)hexa-2,4-diene-1-sulfinate
CID 126636947
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CID 129171297
(4Z)-N-methyl-3-(methylamino)-4-[(Z)-prop-1-enyl]octa-4,7-diene-2-sulfonamide
CID 137506030
ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine
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5-ethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,2-thiazole 1,1-dioxide
CID 143355548
(3Z,5E)-5-(aminomethyl)hepta-1,3,5-triene-2-sulfonamide
CID 143441634
ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 143601971
(3E,5E)-7-amino-N-tert-butyl-5,6-dimethylhepta-1,3,5-triene-3-sulfonamide
CID 143922062

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide?
The IUPAC name of (3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide (CID 134550002) is (3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide.
What is the SMILES notation for (3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide?
The canonical SMILES for (3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide is C=C(/C=C\C(=C/C)CNC)S(=O)(=O)NC.
What is the InChIKey of (3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide?
The InChIKey is JITHXYAOJZCBSL-JQEGGOPCSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-5-10(8-11-3)7-6-9(2)15(13,14)12-4/h5-7,11-12H,2,8H2,1,3-4H3/b7-6-,10-5+.
What are the key properties of (3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide?
(3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide has a molecular weight of 230.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide is sourced from PubChem (CID 134550002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).