N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide

C11H17NO3S2 — CID 89297671

IUPACN,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide
SMILESC=C(C)c1csc(S(=O)(=O)N(CC)CC)c1O
InChIInChI=1S/C11H17NO3S2/c1-5-12(6-2)17(14,15)11-10(13)9(7-16-11)8(3)4/h7,13H,3,5-6H2,1-2,4H3
InChIKeyQTWLQTCYAKHRRX-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.52
Rot. Bonds5

About N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide

N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide (PubChem CID 89297671) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide
PubChem CID89297671
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC NameN,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide
SMILESC=C(C)c1csc(S(=O)(=O)N(CC)CC)c1O
InChIInChI=1S/C11H17NO3S2/c1-5-12(6-2)17(14,15)11-10(13)9(7-16-11)8(3)4/h7,13H,3,5-6H2,1-2,4H3
InChIKeyQTWLQTCYAKHRRX-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.52
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-prop-1-en-2-ylthiophene-2-sulfonamide?
The IUPAC name of N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide (CID 89297671) is N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide is C=C(C)c1csc(S(=O)(=O)N(CC)CC)c1O.
What is the InChIKey of N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide?
The InChIKey is QTWLQTCYAKHRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-5-12(6-2)17(14,15)11-10(13)9(7-16-11)8(3)4/h7,13H,3,5-6H2,1-2,4H3.
What are the key properties of N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide?
N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide has a molecular weight of 275.39 g/mol, XLogP of 2.52, 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-prop-1-en-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 89297671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).