N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide

C13H25FN2O2S2Si — CID 142522463

IUPACN-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
SMILESCN(C)Cc1cc(F)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1
InChIInChI=1S/C13H25FN2O2S2Si/c1-13(2,3)21(6,7)15-20(17,18)12-11(14)8-10(19-12)9-16(4)5/h8,15H,9H2,1-7H3
InChIKeyXTHLWWIAGMYMLL-UHFFFAOYSA-N
MW352.57 g/mol
LogP3.23
Rot. Bonds5

About N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide

N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide (PubChem CID 142522463) has the molecular formula C13H25FN2O2S2Si and a molecular weight of 352.57 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
PubChem CID142522463
Molecular FormulaC13H25FN2O2S2Si
Molecular Weight352.57 g/mol
Exact Mass352.11
IUPAC NameN-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide
SMILESCN(C)Cc1cc(F)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1
InChIInChI=1S/C13H25FN2O2S2Si/c1-13(2,3)21(6,7)15-20(17,18)12-11(14)8-10(19-12)9-16(4)5/h8,15H,9H2,1-7H3
InChIKeyXTHLWWIAGMYMLL-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide (CID 142522463) is N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide is CN(C)Cc1cc(F)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide?
The InChIKey is XTHLWWIAGMYMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2S2Si/c1-13(2,3)21(6,7)15-20(17,18)12-11(14)8-10(19-12)9-16(4)5/h8,15H,9H2,1-7H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide?
N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide has a molecular weight of 352.57 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-5-[(dimethylamino)methyl]-3-fluorothiophene-2-sulfonamide is sourced from PubChem (CID 142522463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).