(3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide

C9H15NO2S — CID 134526328

IUPAC(3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide
SMILESC=C(/C=C\C=C/C)CS(=O)(=O)NC
InChIInChI=1S/C9H15NO2S/c1-4-5-6-7-9(2)8-13(11,12)10-3/h4-7,10H,2,8H2,1,3H3/b5-4-,7-6-
InChIKeyPBGNRLDWVAOEBD-RZSVFLSASA-N
MW201.29 g/mol
LogP1.22
Rot. Bonds5

About (3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide

(3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide (PubChem CID 134526328) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is (3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide.

Molecular Properties

Compound Name(3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide
PubChem CID134526328
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name(3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide
SMILESC=C(/C=C\C=C/C)CS(=O)(=O)NC
InChIInChI=1S/C9H15NO2S/c1-4-5-6-7-9(2)8-13(11,12)10-3/h4-7,10H,2,8H2,1,3H3/b5-4-,7-6-
InChIKeyPBGNRLDWVAOEBD-RZSVFLSASA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.22
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

(3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene
CID 143341887
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166
2-methylhepta-1,3,5-triene
CID 54571604
(3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine
CID 176995030
(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
CID 12943287
(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine
CID 145042717
(2E,4E)-N-(trifluoromethylsulfonyl)hexa-2,4-dienamide
CID 155170687
ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one
CID 177053569
ethane;(3Z,5Z)-2-methylidenehepta-3,5-dienoic acid
CID 176938784
(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
CID 137427597
(3Z,5Z)-2-methylsulfinylhepta-1,3,5-triene
CID 142884054
1-hexa-2,4-dienylsulfonylhexa-2,4-diene
CID 57050656

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide?
The IUPAC name of (3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide (CID 134526328) is (3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide.
What is the SMILES notation for (3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide?
The canonical SMILES for (3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide is C=C(/C=C\C=C/C)CS(=O)(=O)NC.
What is the InChIKey of (3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide?
The InChIKey is PBGNRLDWVAOEBD-RZSVFLSASA-N. The full InChI is InChI=1S/C9H15NO2S/c1-4-5-6-7-9(2)8-13(11,12)10-3/h4-7,10H,2,8H2,1,3H3/b5-4-,7-6-.
What are the key properties of (3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide?
(3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide is sourced from PubChem (CID 134526328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).