N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide

C11H19NO3S2 — CID 20795853

IUPACN,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1scc(C(C)C)c1O
InChIInChI=1S/C11H19NO3S2/c1-5-12(6-2)17(14,15)11-10(13)9(7-16-11)8(3)4/h7-8,13H,5-6H2,1-4H3
InChIKeyIUNGZRAJXHPUGG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.61
Rot. Bonds5

About N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide

N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide (PubChem CID 20795853) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide
PubChem CID20795853
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC NameN,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1scc(C(C)C)c1O
InChIInChI=1S/C11H19NO3S2/c1-5-12(6-2)17(14,15)11-10(13)9(7-16-11)8(3)4/h7-8,13H,5-6H2,1-4H3
InChIKeyIUNGZRAJXHPUGG-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.61
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 N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide (CID 20795853) is N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1scc(C(C)C)c1O.
What is the InChIKey of N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is IUNGZRAJXHPUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-5-12(6-2)17(14,15)11-10(13)9(7-16-11)8(3)4/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide?
N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 20795853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).