5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide

C10H17N3O4S — CID 79858792

IUPAC5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide
SMILESCN(CCS(C)(=O)=O)Cc1cc(C(=O)NN)co1
InChIInChI=1S/C10H17N3O4S/c1-13(3-4-18(2,15)16)6-9-5-8(7-17-9)10(14)12-11/h5,7H,3-4,6,11H2,1-2H3,(H,12,14)
InChIKeyHVZDUSVJGNTUSW-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.64
Rot. Bonds6

About 5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide

5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide (PubChem CID 79858792) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide
PubChem CID79858792
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide
SMILESCN(CCS(C)(=O)=O)Cc1cc(C(=O)NN)co1
InChIInChI=1S/C10H17N3O4S/c1-13(3-4-18(2,15)16)6-9-5-8(7-17-9)10(14)12-11/h5,7H,3-4,6,11H2,1-2H3,(H,12,14)
InChIKeyHVZDUSVJGNTUSW-UHFFFAOYSA-N
XLogP-0.64
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.64
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

5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
N-cyclopropyl-2-[[4-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]acetamide
CID 63585140
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide
CID 103192024
5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63584554
3-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 79858524
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 79858213
5-(propan-2-yloxymethyl)furan-3-carbohydrazide
CID 63574391
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide
CID 79859256
5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid
CID 112661456
5-(2-ethoxyethoxymethyl)furan-3-carbohydrazide
CID 63588537
5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide
CID 63577161
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63585207

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide (CID 79858792) is 5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide is CN(CCS(C)(=O)=O)Cc1cc(C(=O)NN)co1.
What is the InChIKey of 5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide?
The InChIKey is HVZDUSVJGNTUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-13(3-4-18(2,15)16)6-9-5-8(7-17-9)10(14)12-11/h5,7H,3-4,6,11H2,1-2H3,(H,12,14).
What are the key properties of 5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide?
5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide has a molecular weight of 275.33 g/mol, XLogP of -0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 79858792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).