(3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide

C8H13NO2S — CID 142175169

IUPAC(3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide
SMILESC=C(C)/C(=C\C=C/C)S(N)(=O)=O
InChIInChI=1S/C8H13NO2S/c1-4-5-6-8(7(2)3)12(9,10)11/h4-6H,2H2,1,3H3,(H2,9,10,11)/b5-4-,8-6+
InChIKeyPILWGKVWAFLUAY-GSGSLZOQSA-N
MW187.26 g/mol
LogP1.31
Rot. Bonds3

About (3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide

(3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide (PubChem CID 142175169) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is (3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide.

Molecular Properties

Compound Name(3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide
PubChem CID142175169
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name(3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide
SMILESC=C(C)/C(=C\C=C/C)S(N)(=O)=O
InChIInChI=1S/C8H13NO2S/c1-4-5-6-8(7(2)3)12(9,10)11/h4-6H,2H2,1,3H3,(H2,9,10,11)/b5-4-,8-6+
InChIKeyPILWGKVWAFLUAY-GSGSLZOQSA-N
XLogP1.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(1E)-3-methyl-1-(methylideneamino)buta-1,3-diene-2-sulfonamide
CID 142166886
(4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene
CID 173385385
hexa-2,4-diene-2-sulfonic acid
CID 91299150
(3E,5Z)-2-methyl-N-propan-2-yl-N-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-amine
CID 156752662
(3E,5Z)-3-chloro-2-methylhepta-1,3,5-triene;ethane
CID 145128135
(4E,6Z)-4-fluoro-2-methyl-3-methylideneocta-1,4,6-triene
CID 144513621
methane;(2Z,4E,6E,8E)-5-prop-1-en-2-yldeca-2,4,6,8-tetraene
CID 163241404
(3E,5Z)-hepta-1,3,5-triene-3-sulfonic acid
CID 142823719
(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide
CID 142187285
(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine
CID 145148442
(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677
6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene
CID 123924693

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide?
The IUPAC name of (3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide (CID 142175169) is (3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide.
What is the SMILES notation for (3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide?
The canonical SMILES for (3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide is C=C(C)/C(=C\C=C/C)S(N)(=O)=O.
What is the InChIKey of (3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide?
The InChIKey is PILWGKVWAFLUAY-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-4-5-6-8(7(2)3)12(9,10)11/h4-6H,2H2,1,3H3,(H2,9,10,11)/b5-4-,8-6+.
What are the key properties of (3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide?
(3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide has a molecular weight of 187.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-methylhepta-1,3,5-triene-3-sulfonamide is sourced from PubChem (CID 142175169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).