N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide

C16H23NO2SSi — CID 162396933

IUPACN-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)C1=CC=CC1[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H23NO2SSi/c1-13(14-9-6-5-7-10-14)17-20(18,19)15-11-8-12-16(15)21(2,3)4/h5-13,16-17H,1-4H3/t13-,16?/m1/s1
InChIKeyJSEMOLISHHYGEN-JBZHPUCOSA-N
MW321.52 g/mol
LogP3.83
Rot. Bonds5

About N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide

N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide (PubChem CID 162396933) has the molecular formula C16H23NO2SSi and a molecular weight of 321.52 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide
PubChem CID162396933
Molecular FormulaC16H23NO2SSi
Molecular Weight321.52 g/mol
Exact Mass321.12
IUPAC NameN-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)C1=CC=CC1[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H23NO2SSi/c1-13(14-9-6-5-7-10-14)17-20(18,19)15-11-8-12-16(15)21(2,3)4/h5-13,16-17H,1-4H3/t13-,16?/m1/s1
InChIKeyJSEMOLISHHYGEN-JBZHPUCOSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-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-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 19680818
(1R)-N-[dihydroxy(methyl)-λ4-sulfanyl]-1-phenylethanamine
CID 143447840
3-amino-N-(1-phenylethyl)pyridine-2-sulfonamide
CID 103303814
2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide
CID 107864042
2-hydrazinyl-N-(1-phenylethyl)pyrimidine-5-sulfonamide
CID 61328714
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide (CID 162396933) is N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide is C[C@@H](NS(=O)(=O)C1=CC=CC1[Si](C)(C)C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide?
The InChIKey is JSEMOLISHHYGEN-JBZHPUCOSA-N. The full InChI is InChI=1S/C16H23NO2SSi/c1-13(14-9-6-5-7-10-14)17-20(18,19)15-11-8-12-16(15)21(2,3)4/h5-13,16-17H,1-4H3/t13-,16?/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide?
N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide has a molecular weight of 321.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-5-trimethylsilylcyclopenta-1,3-diene-1-sulfonamide is sourced from PubChem (CID 162396933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).