N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide

C20H31NO2SSi — CID 101421694

IUPACN-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide
SMILESC=CCCC1(NS(=O)(=O)c2ccc(C)cc2)CCC=C1C[Si](C)(C)C
InChIInChI=1S/C20H31NO2SSi/c1-6-7-14-20(15-8-9-18(20)16-25(3,4)5)21-24(22,23)19-12-10-17(2)11-13-19/h6,9-13,21H,1,7-8,14-16H2,2-5H3
InChIKeyBYLPLMPZZFXUNZ-UHFFFAOYSA-N
MW377.63 g/mol
LogP5.04
Rot. Bonds8

About N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide

N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide (PubChem CID 101421694) has the molecular formula C20H31NO2SSi and a molecular weight of 377.63 g/mol. Its IUPAC name is N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide
PubChem CID101421694
Molecular FormulaC20H31NO2SSi
Molecular Weight377.63 g/mol
Exact Mass377.18
IUPAC NameN-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide
SMILESC=CCCC1(NS(=O)(=O)c2ccc(C)cc2)CCC=C1C[Si](C)(C)C
InChIInChI=1S/C20H31NO2SSi/c1-6-7-14-20(15-8-9-18(20)16-25(3,4)5)21-24(22,23)19-12-10-17(2)11-13-19/h6,9-13,21H,1,7-8,14-16H2,2-5H3
InChIKeyBYLPLMPZZFXUNZ-UHFFFAOYSA-N
XLogP5.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.63
LogP ≤ 55.04
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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Frequently Asked Questions

What is the IUPAC name of N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide (CID 101421694) is N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide is C=CCCC1(NS(=O)(=O)c2ccc(C)cc2)CCC=C1C[Si](C)(C)C.
What is the InChIKey of N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide?
The InChIKey is BYLPLMPZZFXUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2SSi/c1-6-7-14-20(15-8-9-18(20)16-25(3,4)5)21-24(22,23)19-12-10-17(2)11-13-19/h6,9-13,21H,1,7-8,14-16H2,2-5H3.
What are the key properties of N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide?
N-[1-but-3-enyl-2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]-4-methylbenzenesulfonamide has a molecular weight of 377.63 g/mol, XLogP of 5.04, 8 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101421694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).