(5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide

C12H23NO2S — CID 174111899

IUPAC(5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide
SMILESCCC/C(C)=C\CC(C)=C(C)S(=O)(=O)NC
InChIInChI=1S/C12H23NO2S/c1-6-7-10(2)8-9-11(3)12(4)16(14,15)13-5/h8,13H,6-7,9H2,1-5H3/b10-8-,12-11?
InChIKeyAJVQRQYAWABYCL-ZKWSARCXSA-N
MW245.39 g/mol
LogP2.97
Rot. Bonds6

About (5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide

(5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide (PubChem CID 174111899) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is (5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide.

Molecular Properties

Compound Name(5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide
PubChem CID174111899
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name(5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide
SMILESCCC/C(C)=C\CC(C)=C(C)S(=O)(=O)NC
InChIInChI=1S/C12H23NO2S/c1-6-7-10(2)8-9-11(3)12(4)16(14,15)13-5/h8,13H,6-7,9H2,1-5H3/b10-8-,12-11?
InChIKeyAJVQRQYAWABYCL-ZKWSARCXSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide?
The IUPAC name of (5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide (CID 174111899) is (5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide.
What is the SMILES notation for (5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide?
The canonical SMILES for (5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide is CCC/C(C)=C\CC(C)=C(C)S(=O)(=O)NC.
What is the InChIKey of (5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide?
The InChIKey is AJVQRQYAWABYCL-ZKWSARCXSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-6-7-10(2)8-9-11(3)12(4)16(14,15)13-5/h8,13H,6-7,9H2,1-5H3/b10-8-,12-11?.
What are the key properties of (5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide?
(5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide has a molecular weight of 245.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N,3,6-trimethylnona-2,5-diene-2-sulfonamide is sourced from PubChem (CID 174111899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).