2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide

C8H19N3O3S — CID 79858043

IUPAC2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide
SMILESCC(CN(C)CCS(C)(=O)=O)C(=O)NN
InChIInChI=1S/C8H19N3O3S/c1-7(8(12)10-9)6-11(2)4-5-15(3,13)14/h7H,4-6,9H2,1-3H3,(H,10,12)
InChIKeyRXLQJVYZFBSWFZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.41
Rot. Bonds6

About 2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide

2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide (PubChem CID 79858043) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide
PubChem CID79858043
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide
SMILESCC(CN(C)CCS(C)(=O)=O)C(=O)NN
InChIInChI=1S/C8H19N3O3S/c1-7(8(12)10-9)6-11(2)4-5-15(3,13)14/h7H,4-6,9H2,1-3H3,(H,10,12)
InChIKeyRXLQJVYZFBSWFZ-UHFFFAOYSA-N
XLogP-1.41
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[butyl(methyl)amino]-2-methylpropanehydrazide
CID 63568681
N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79850305
N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190976
3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide
CID 104556549
methyl 4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanoate
CID 79859194
2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
CID 63583676
3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride
CID 86811726
[methyl(2-methylsulfonylethyl)amino]methanol
CID 174115571
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
2-[methyl(2-methylsulfonylethyl)amino]acetic acid
CID 60915939
2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide
CID 112666689
N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine
CID 82683161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide?
The IUPAC name of 2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide (CID 79858043) is 2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide.
What is the SMILES notation for 2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide?
The canonical SMILES for 2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide is CC(CN(C)CCS(C)(=O)=O)C(=O)NN.
What is the InChIKey of 2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide?
The InChIKey is RXLQJVYZFBSWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-7(8(12)10-9)6-11(2)4-5-15(3,13)14/h7H,4-6,9H2,1-3H3,(H,10,12).
What are the key properties of 2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide?
2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide has a molecular weight of 237.32 g/mol, XLogP of -1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide is sourced from PubChem (CID 79858043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).