N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide

C10H17NO2S2 — CID 23331882

IUPACN-tert-butyl-4,5-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C)sc1C
InChIInChI=1S/C10H17NO2S2/c1-7-6-9(14-8(7)2)15(12,13)11-10(3,4)5/h6,11H,1-5H3
InChIKeyWEFNXWUDTSZVGZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.44
Rot. Bonds2

About N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide

N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide (PubChem CID 23331882) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4,5-dimethylthiophene-2-sulfonamide
PubChem CID23331882
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC NameN-tert-butyl-4,5-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C)sc1C
InChIInChI=1S/C10H17NO2S2/c1-7-6-9(14-8(7)2)15(12,13)11-10(3,4)5/h6,11H,1-5H3
InChIKeyWEFNXWUDTSZVGZ-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide (CID 23331882) is N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(C)(C)C)sc1C.
What is the InChIKey of N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide?
The InChIKey is WEFNXWUDTSZVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-7-6-9(14-8(7)2)15(12,13)11-10(3,4)5/h6,11H,1-5H3.
What are the key properties of N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide?
N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide has a molecular weight of 247.38 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 23331882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).