3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide

C10H17NO3S2 — CID 71122070

IUPAC3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide
SMILESCc1sc(S(=O)(=O)N(C)C)c(O)c1C(C)C
InChIInChI=1S/C10H17NO3S2/c1-6(2)8-7(3)15-10(9(8)12)16(13,14)11(4)5/h6,12H,1-5H3
InChIKeyCAQLZZYBMCKAFV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.14
Rot. Bonds3

About 3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide

3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide (PubChem CID 71122070) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide
PubChem CID71122070
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC Name3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide
SMILESCc1sc(S(=O)(=O)N(C)C)c(O)c1C(C)C
InChIInChI=1S/C10H17NO3S2/c1-6(2)8-7(3)15-10(9(8)12)16(13,14)11(4)5/h6,12H,1-5H3
InChIKeyCAQLZZYBMCKAFV-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide (CID 71122070) is 3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide is Cc1sc(S(=O)(=O)N(C)C)c(O)c1C(C)C.
What is the InChIKey of 3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is CAQLZZYBMCKAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c1-6(2)8-7(3)15-10(9(8)12)16(13,14)11(4)5/h6,12H,1-5H3.
What are the key properties of 3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide?
3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 263.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N,5-trimethyl-4-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 71122070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).