N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide

C10H17NO3S2 — CID 59654466

IUPACN-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide
SMILESCCN(C)S(=O)(=O)c1scc(C(C)C)c1O
InChIInChI=1S/C10H17NO3S2/c1-5-11(4)16(13,14)10-9(12)8(6-15-10)7(2)3/h6-7,12H,5H2,1-4H3
InChIKeyLMSOYFXLJWKWLI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.22
Rot. Bonds4

About N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide

N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide (PubChem CID 59654466) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide
PubChem CID59654466
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC NameN-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide
SMILESCCN(C)S(=O)(=O)c1scc(C(C)C)c1O
InChIInChI=1S/C10H17NO3S2/c1-5-11(4)16(13,14)10-9(12)8(6-15-10)7(2)3/h6-7,12H,5H2,1-4H3
InChIKeyLMSOYFXLJWKWLI-UHFFFAOYSA-N
XLogP2.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.22
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-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide (CID 59654466) is N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide is CCN(C)S(=O)(=O)c1scc(C(C)C)c1O.
What is the InChIKey of N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is LMSOYFXLJWKWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c1-5-11(4)16(13,14)10-9(12)8(6-15-10)7(2)3/h6-7,12H,5H2,1-4H3.
What are the key properties of N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide?
N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 263.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-N-methyl-4-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 59654466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).