(3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide

C12H21NO2S — CID 166842117

IUPAC(3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide
SMILESC=C(/C=C(\C=C/CCC)C(C)C)S(N)(=O)=O
InChIInChI=1S/C12H21NO2S/c1-5-6-7-8-12(10(2)3)9-11(4)16(13,14)15/h7-10H,4-6H2,1-3H3,(H2,13,14,15)/b8-7-,12-9+
InChIKeyVSNBWSXYOJRBRZ-HVTAIUIQSA-N
MW243.37 g/mol
LogP2.73
Rot. Bonds6

About (3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide

(3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide (PubChem CID 166842117) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is (3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide.

Molecular Properties

Compound Name(3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide
PubChem CID166842117
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name(3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide
SMILESC=C(/C=C(\C=C/CCC)C(C)C)S(N)(=O)=O
InChIInChI=1S/C12H21NO2S/c1-5-6-7-8-12(10(2)3)9-11(4)16(13,14)15/h7-10H,4-6H2,1-3H3,(H2,13,14,15)/b8-7-,12-9+
InChIKeyVSNBWSXYOJRBRZ-HVTAIUIQSA-N
XLogP2.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide?
The IUPAC name of (3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide (CID 166842117) is (3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide.
What is the SMILES notation for (3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide?
The canonical SMILES for (3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide is C=C(/C=C(\C=C/CCC)C(C)C)S(N)(=O)=O.
What is the InChIKey of (3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide?
The InChIKey is VSNBWSXYOJRBRZ-HVTAIUIQSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-5-6-7-8-12(10(2)3)9-11(4)16(13,14)15/h7-10H,4-6H2,1-3H3,(H2,13,14,15)/b8-7-,12-9+.
What are the key properties of (3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide?
(3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide has a molecular weight of 243.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-propan-2-ylnona-1,3,5-triene-2-sulfonamide is sourced from PubChem (CID 166842117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).