1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide

C12H24N2O3SSi — CID 67920678

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide
SMILESCCc1c(S(N)(=O)=O)ccn1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24N2O3SSi/c1-7-10-11(18(13,15)16)8-9-14(10)17-19(5,6)12(2,3)4/h8-9H,7H2,1-6H3,(H2,13,15,16)
InChIKeyXSSXFNLVXZIZGB-UHFFFAOYSA-N
MW304.49 g/mol
LogP2.13
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide

1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide (PubChem CID 67920678) has the molecular formula C12H24N2O3SSi and a molecular weight of 304.49 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide
PubChem CID67920678
Molecular FormulaC12H24N2O3SSi
Molecular Weight304.49 g/mol
Exact Mass304.13
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide
SMILESCCc1c(S(N)(=O)=O)ccn1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24N2O3SSi/c1-7-10-11(18(13,15)16)8-9-14(10)17-19(5,6)12(2,3)4/h8-9H,7H2,1-6H3,(H2,13,15,16)
InChIKeyXSSXFNLVXZIZGB-UHFFFAOYSA-N
XLogP2.13
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide (CID 67920678) is 1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide is CCc1c(S(N)(=O)=O)ccn1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide?
The InChIKey is XSSXFNLVXZIZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3SSi/c1-7-10-11(18(13,15)16)8-9-14(10)17-19(5,6)12(2,3)4/h8-9H,7H2,1-6H3,(H2,13,15,16).
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide?
1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide has a molecular weight of 304.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-2-ethylpyrrole-3-sulfonamide is sourced from PubChem (CID 67920678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).