2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide

C14H29NO2SSi — CID 134999197

IUPAC2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCCC=C1C[Si](C)(C)C
InChIInChI=1S/C14H29NO2SSi/c1-14(2,3)18(16,17)15-13-10-8-7-9-12(13)11-19(4,5)6/h9,13,15H,7-8,10-11H2,1-6H3
InChIKeyUKJMDHNGRBATDN-UHFFFAOYSA-N
MW303.54 g/mol
LogP3.52
Rot. Bonds4

About 2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide

2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide (PubChem CID 134999197) has the molecular formula C14H29NO2SSi and a molecular weight of 303.54 g/mol. Its IUPAC name is 2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide
PubChem CID134999197
Molecular FormulaC14H29NO2SSi
Molecular Weight303.54 g/mol
Exact Mass303.17
IUPAC Name2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCCC=C1C[Si](C)(C)C
InChIInChI=1S/C14H29NO2SSi/c1-14(2,3)18(16,17)15-13-10-8-7-9-12(13)11-19(4,5)6/h9,13,15H,7-8,10-11H2,1-6H3
InChIKeyUKJMDHNGRBATDN-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide
CID 134998499
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide
CID 10914119
N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide
CID 11791066

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide (CID 134999197) is 2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCCC=C1C[Si](C)(C)C.
What is the InChIKey of 2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide?
The InChIKey is UKJMDHNGRBATDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2SSi/c1-14(2,3)18(16,17)15-13-10-8-7-9-12(13)11-19(4,5)6/h9,13,15H,7-8,10-11H2,1-6H3.
What are the key properties of 2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide?
2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide has a molecular weight of 303.54 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide is sourced from PubChem (CID 134999197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).