4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide

C8H14N2O3S2 — CID 20795777

IUPAC4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1scc(N)c1O
InChIInChI=1S/C8H14N2O3S2/c1-3-10(4-2)15(12,13)8-7(11)6(9)5-14-8/h5,11H,3-4,9H2,1-2H3
InChIKeyOJWCUNDZTZBFHH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.07
Rot. Bonds4

About 4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide

4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide (PubChem CID 20795777) has the molecular formula C8H14N2O3S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide
PubChem CID20795777
Molecular FormulaC8H14N2O3S2
Molecular Weight250.34 g/mol
Exact Mass250.04
IUPAC Name4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1scc(N)c1O
InChIInChI=1S/C8H14N2O3S2/c1-3-10(4-2)15(12,13)8-7(11)6(9)5-14-8/h5,11H,3-4,9H2,1-2H3
InChIKeyOJWCUNDZTZBFHH-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-hydroxy-4-prop-1-en-2-ylthiophene-2-sulfonamide
CID 89297671
3,4-diamino-N-ethyl-N-methylthiophene-2-sulfonamide
CID 71031201
acetylene;4-[[5,6-diamino-3-[(4-propan-2-ylfuran-2-yl)methylimino]pyrazin-2-ylidene]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide;2-methylpropane
CID 143389391
1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-1-(4-methylfuran-2-yl)propyl]ethanediimidamide
CID 143077285
4-amino-2-(diethylaminosulfanyl)thiophen-3-ol
CID 89295801
1-N'-[5-(diethylsulfamoyl)-4-hydroxythiophen-3-yl]-2-N'-[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]ethanediimidamide
CID 163616522
5-chloro-N,N-diethyl-3-hydroxy-4-propan-2-ylthiophene-2-sulfonamide
CID 58591545
4-[[3-[(4,5-dimethylfuran-2-yl)methylamino]-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-yl]amino]-N,N-diethyl-3-hydroxythiophene-2-sulfonamide
CID 71219565
4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
N,N-diethyl-4-[[4-[[(1R)-1-(furan-3-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-3-hydroxythiophene-2-sulfonamide
CID 24855019
4-amino-N-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 61300939
N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide
CID 58736718

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide?
The IUPAC name of 4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide (CID 20795777) is 4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1scc(N)c1O.
What is the InChIKey of 4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide?
The InChIKey is OJWCUNDZTZBFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S2/c1-3-10(4-2)15(12,13)8-7(11)6(9)5-14-8/h5,11H,3-4,9H2,1-2H3.
What are the key properties of 4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide?
4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide has a molecular weight of 250.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-diethyl-3-hydroxythiophene-2-sulfonamide is sourced from PubChem (CID 20795777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).