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

C13H27NO2SSi — CID 134998499

IUPAC2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC=C1C[Si](C)(C)C
InChIInChI=1S/C13H27NO2SSi/c1-13(2,3)17(15,16)14-12-9-7-8-11(12)10-18(4,5)6/h8,12,14H,7,9-10H2,1-6H3
InChIKeyVYTPYVFZUMNFRG-UHFFFAOYSA-N
MW289.52 g/mol
LogP3.13
Rot. Bonds4

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

2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide (PubChem CID 134998499) has the molecular formula C13H27NO2SSi and a molecular weight of 289.52 g/mol. Its IUPAC name is 2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide
PubChem CID134998499
Molecular FormulaC13H27NO2SSi
Molecular Weight289.52 g/mol
Exact Mass289.15
IUPAC Name2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC=C1C[Si](C)(C)C
InChIInChI=1S/C13H27NO2SSi/c1-13(2,3)17(15,16)14-12-9-7-8-11(12)10-18(4,5)6/h8,12,14H,7,9-10H2,1-6H3
InChIKeyVYTPYVFZUMNFRG-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 53.13
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
2-methyl-N-[1-methyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide
CID 134998506
2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide
CID 134999197
(R)-2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide
CID 118540667
2-methyl-N-[(1R)-2-methylcyclopent-2-en-1-yl]propane-2-sulfinamide
CID 118540668
N-[(E)-5,7-dimethyloct-5-en-3-yl]-2-methylpropane-2-sulfonamide
CID 144966152
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-trimethylsilylethanesulfonamide
CID 10914119
N-[(1S)-cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide
CID 24749771

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide (CID 134998499) is 2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC=C1C[Si](C)(C)C.
What is the InChIKey of 2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide?
The InChIKey is VYTPYVFZUMNFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2SSi/c1-13(2,3)17(15,16)14-12-9-7-8-11(12)10-18(4,5)6/h8,12,14H,7,9-10H2,1-6H3.
What are the key properties of 2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide?
2-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide has a molecular weight of 289.52 g/mol, XLogP of 3.13, 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)cyclopent-2-en-1-yl]propane-2-sulfonamide is sourced from PubChem (CID 134998499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).