N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide

C17H33NO2SSi — CID 134998511

IUPACN-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide
SMILESC=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1C[Si](C)(C)C
InChIInChI=1S/C17H33NO2SSi/c1-8-9-12-17(18-21(19,20)16(2,3)4)13-10-11-15(17)14-22(5,6)7/h8,11,18H,1,9-10,12-14H2,2-7H3
InChIKeyMJUCKOXALHXCFB-UHFFFAOYSA-N
MW343.61 g/mol
LogP4.47
Rot. Bonds7

About N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide

N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide (PubChem CID 134998511) has the molecular formula C17H33NO2SSi and a molecular weight of 343.61 g/mol. Its IUPAC name is N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide
PubChem CID134998511
Molecular FormulaC17H33NO2SSi
Molecular Weight343.61 g/mol
Exact Mass343.20
IUPAC NameN-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide
SMILESC=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1C[Si](C)(C)C
InChIInChI=1S/C17H33NO2SSi/c1-8-9-12-17(18-21(19,20)16(2,3)4)13-10-11-15(17)14-22(5,6)7/h8,11,18H,1,9-10,12-14H2,2-7H3
InChIKeyMJUCKOXALHXCFB-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 54.47
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'}

Analyze N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-but-3-enyl-2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388635
2-methyl-N-[1-methyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]propane-2-sulfonamide
CID 134998506

Frequently Asked Questions

What is the IUPAC name of N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide (CID 134998511) is N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide is C=CCCC1(NS(=O)(=O)C(C)(C)C)CCC=C1C[Si](C)(C)C.
What is the InChIKey of N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is MJUCKOXALHXCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2SSi/c1-8-9-12-17(18-21(19,20)16(2,3)4)13-10-11-15(17)14-22(5,6)7/h8,11,18H,1,9-10,12-14H2,2-7H3.
What are the key properties of N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide?
N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 343.61 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 134998511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).