4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide

C9H17N3O2S2 — CID 106074851

IUPAC4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
SMILESCCNCc1csc(S(=O)(=O)NN(C)C)c1
InChIInChI=1S/C9H17N3O2S2/c1-4-10-6-8-5-9(15-7-8)16(13,14)11-12(2)3/h5,7,10-11H,4,6H2,1-3H3
InChIKeyTUWYXSHWUVWWTA-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.61
Rot. Bonds6

About 4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide

4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide (PubChem CID 106074851) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
PubChem CID106074851
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
SMILESCCNCc1csc(S(=O)(=O)NN(C)C)c1
InChIInChI=1S/C9H17N3O2S2/c1-4-10-6-8-5-9(15-7-8)16(13,14)11-12(2)3/h5,7,10-11H,4,6H2,1-3H3
InChIKeyTUWYXSHWUVWWTA-UHFFFAOYSA-N
XLogP0.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(ethylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-2-sulfonamide
CID 79356541
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106094307
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106091614
4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106069682
4-(ethylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106051103
N-(2-ethoxy-2-methylpropyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106086773
4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095026
4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378210
4-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016288
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106378311
N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106060359
4-(ethylaminomethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 106070490

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide?
The IUPAC name of 4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide (CID 106074851) is 4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide.
What is the SMILES notation for 4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide?
The canonical SMILES for 4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide is CCNCc1csc(S(=O)(=O)NN(C)C)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide?
The InChIKey is TUWYXSHWUVWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-4-10-6-8-5-9(15-7-8)16(13,14)11-12(2)3/h5,7,10-11H,4,6H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide?
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide has a molecular weight of 263.39 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide is sourced from PubChem (CID 106074851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).