N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide

C14H29NO2S — CID 144966152

IUPACN-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide
SMILESCCC(C/C(C)=C/C(C)C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-8-13(10-12(4)9-11(2)3)15-18(16,17)14(5,6)7/h9,11,13,15H,8,10H2,1-7H3/b12-9+
InChIKeyGRDMCZQMRIHMSD-FMIVXFBMSA-N
MW275.46 g/mol
LogP3.48
Rot. Bonds6

About N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide

N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide (PubChem CID 144966152) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide
PubChem CID144966152
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide
SMILESCCC(C/C(C)=C/C(C)C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H29NO2S/c1-8-13(10-12(4)9-11(2)3)15-18(16,17)14(5,6)7/h9,11,13,15H,8,10H2,1-7H3/b12-9+
InChIKeyGRDMCZQMRIHMSD-FMIVXFBMSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-3-fluoro-2-methyl-N-propan-2-ylhexa-1,4-diene-3-sulfonamide
CID 169660508
N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388633
N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388637
(R)-N-[(Z,2R)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945406
(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945442
(R)-N-[(Z,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945451
2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide
CID 134998499
N-(5-methylhex-4-enyl)butane-1-sulfonamide
CID 138967449
N-(2-methylpropyl)cyclohexene-1-sulfonamide
CID 18792230
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropane-2-sulfonamide
CID 60069844
N-(4-ethylidenecyclohexyl)methanesulfonamide
CID 71122467
2-methyl-N-[(5Z)-octa-1,5-dien-4-yl]propane-2-sulfonamide
CID 89153892

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide (CID 144966152) is N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide is CCC(C/C(C)=C/C(C)C)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is GRDMCZQMRIHMSD-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-8-13(10-12(4)9-11(2)3)15-18(16,17)14(5,6)7/h9,11,13,15H,8,10H2,1-7H3/b12-9+.
What are the key properties of N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide?
N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 275.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 144966152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).