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

C9H17N3O2S2 — CID 106074733

IUPAC5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
SMILESCCNCc1ccc(S(=O)(=O)NN(C)C)s1
InChIInChI=1S/C9H17N3O2S2/c1-4-10-7-8-5-6-9(15-8)16(13,14)11-12(2)3/h5-6,10-11H,4,7H2,1-3H3
InChIKeySUQMMFIZNNCHPA-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.61
Rot. Bonds6

About 5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide

5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide (PubChem CID 106074733) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
PubChem CID106074733
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
SMILESCCNCc1ccc(S(=O)(=O)NN(C)C)s1
InChIInChI=1S/C9H17N3O2S2/c1-4-10-7-8-5-6-9(15-8)16(13,14)11-12(2)3/h5-6,10-11H,4,7H2,1-3H3
InChIKeySUQMMFIZNNCHPA-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

5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106051994
N-(4-bromophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106061370
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066943
N-(3,3-dimethylbutan-2-yl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106079092
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
5-(ethylaminomethyl)-N-(6-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106073184
5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 106075483
N-(5-bromo-6-methyl-2-pyridinyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106070374
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061
5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106092326

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide?
The IUPAC name of 5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide (CID 106074733) is 5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide.
What is the SMILES notation for 5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide?
The canonical SMILES for 5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide is CCNCc1ccc(S(=O)(=O)NN(C)C)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide?
The InChIKey is SUQMMFIZNNCHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-4-10-7-8-5-6-9(15-8)16(13,14)11-12(2)3/h5-6,10-11H,4,7H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide?
5-(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 5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide is sourced from PubChem (CID 106074733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).