6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide

C11H21NO2S — CID 123150959

IUPAC6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide
SMILESCC=C(C=CC(C)C)S(=O)(=O)NC(C)C
InChIInChI=1S/C11H21NO2S/c1-6-11(8-7-9(2)3)15(13,14)12-10(4)5/h6-10,12H,1-5H3
InChIKeyJNCYOCCGRHWOOZ-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.43
Rot. Bonds5

About 6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide

6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide (PubChem CID 123150959) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide
PubChem CID123150959
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide
SMILESCC=C(C=CC(C)C)S(=O)(=O)NC(C)C
InChIInChI=1S/C11H21NO2S/c1-6-11(8-7-9(2)3)15(13,14)12-10(4)5/h6-10,12H,1-5H3
InChIKeyJNCYOCCGRHWOOZ-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.43
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 6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide?
The IUPAC name of 6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide (CID 123150959) is 6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide.
What is the SMILES notation for 6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide?
The canonical SMILES for 6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide is CC=C(C=CC(C)C)S(=O)(=O)NC(C)C.
What is the InChIKey of 6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide?
The InChIKey is JNCYOCCGRHWOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-6-11(8-7-9(2)3)15(13,14)12-10(4)5/h6-10,12H,1-5H3.
What are the key properties of 6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide?
6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propan-2-ylhepta-2,4-diene-3-sulfonamide is sourced from PubChem (CID 123150959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).