N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide

C15H31NO2S — CID 146352968

IUPACN-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide
SMILESC[C@@H](/C=C/CCCC(C)(C)C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H31NO2S/c1-13(16-19(17,18)15(5,6)7)11-9-8-10-12-14(2,3)4/h9,11,13,16H,8,10,12H2,1-7H3/b11-9+/t13-/m0/s1
InChIKeyPYWOONQOULZEQK-STRFDMGBSA-N
MW289.48 g/mol
LogP3.87
Rot. Bonds6

About N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide

N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide (PubChem CID 146352968) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide
PubChem CID146352968
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC NameN-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide
SMILESC[C@@H](/C=C/CCCC(C)(C)C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H31NO2S/c1-13(16-19(17,18)15(5,6)7)11-9-8-10-12-14(2,3)4/h9,11,13,16H,8,10,12H2,1-7H3/b11-9+/t13-/m0/s1
InChIKeyPYWOONQOULZEQK-STRFDMGBSA-N
XLogP3.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide (CID 146352968) is N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide is C[C@@H](/C=C/CCCC(C)(C)C)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is PYWOONQOULZEQK-STRFDMGBSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-13(16-19(17,18)15(5,6)7)11-9-8-10-12-14(2,3)4/h9,11,13,16H,8,10,12H2,1-7H3/b11-9+/t13-/m0/s1.
What are the key properties of N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide?
N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 289.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-8,8-dimethylnon-3-en-2-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 146352968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).