N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide

C11H19NO2S2 — CID 71348598

IUPACN-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C11H19NO2S2/c1-8(2)9-6-7-10(15-9)16(13,14)12-11(3,4)5/h6-8,12H,1-5H3
InChIKeyWOUZVGUFYOSKIS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.95
Rot. Bonds3

About N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide

N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide (PubChem CID 71348598) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide
PubChem CID71348598
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC NameN-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C11H19NO2S2/c1-8(2)9-6-7-10(15-9)16(13,14)12-11(3,4)5/h6-8,12H,1-5H3
InChIKeyWOUZVGUFYOSKIS-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide (CID 71348598) is N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide is CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is WOUZVGUFYOSKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-8(2)9-6-7-10(15-9)16(13,14)12-11(3,4)5/h6-8,12H,1-5H3.
What are the key properties of N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide?
N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 261.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 71348598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).