3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide

C10H17N3O3S2 — CID 79858524

IUPAC3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(CCS(C)(=O)=O)Cc1ccsc1C(=O)NN
InChIInChI=1S/C10H17N3O3S2/c1-13(4-6-18(2,15)16)7-8-3-5-17-9(8)10(14)12-11/h3,5H,4,6-7,11H2,1-2H3,(H,12,14)
InChIKeyCYJXTVMBJDZCRE-UHFFFAOYSA-N
MW291.40 g/mol
LogP-0.17
Rot. Bonds6

About 3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide

3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 79858524) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID79858524
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(CCS(C)(=O)=O)Cc1ccsc1C(=O)NN
InChIInChI=1S/C10H17N3O3S2/c1-13(4-6-18(2,15)16)7-8-3-5-17-9(8)10(14)12-11/h3,5H,4,6-7,11H2,1-2H3,(H,12,14)
InChIKeyCYJXTVMBJDZCRE-UHFFFAOYSA-N
XLogP-0.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640383
3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640379
3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63840723
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640901
3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63640202
3-[[cyclohexyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63639193
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide
CID 113476710
3-(methylsulfanylmethyl)thiophene-2-carbohydrazide
CID 63640253
3-[(2-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 55246094
3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63639704
3-(ethoxymethyl)thiophene-2-carbohydrazide
CID 63639341
5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide
CID 79858792

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide (CID 79858524) is 3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide is CN(CCS(C)(=O)=O)Cc1ccsc1C(=O)NN.
What is the InChIKey of 3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is CYJXTVMBJDZCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-13(4-6-18(2,15)16)7-8-3-5-17-9(8)10(14)12-11/h3,5H,4,6-7,11H2,1-2H3,(H,12,14).
What are the key properties of 3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide?
3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 291.40 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 79858524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).