N-amino-N'-methyl-2-methylsulfonylpropanimidamide

C5H13N3O2S — CID 104521930

IUPACN-amino-N'-methyl-2-methylsulfonylpropanimidamide
SMILESC/N=C(\NN)C(C)S(C)(=O)=O
InChIInChI=1S/C5H13N3O2S/c1-4(11(3,9)10)5(7-2)8-6/h4H,6H2,1-3H3,(H,7,8)
InChIKeyPZFPIXYNNITDSW-UHFFFAOYSA-N
MW179.25 g/mol
LogP-1.09
Rot. Bonds2

About N-amino-N'-methyl-2-methylsulfonylpropanimidamide

N-amino-N'-methyl-2-methylsulfonylpropanimidamide (PubChem CID 104521930) has the molecular formula C5H13N3O2S and a molecular weight of 179.25 g/mol. Its IUPAC name is N-amino-N'-methyl-2-methylsulfonylpropanimidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-2-methylsulfonylpropanimidamide
PubChem CID104521930
Molecular FormulaC5H13N3O2S
Molecular Weight179.25 g/mol
Exact Mass179.07
IUPAC NameN-amino-N'-methyl-2-methylsulfonylpropanimidamide
SMILESC/N=C(\NN)C(C)S(C)(=O)=O
InChIInChI=1S/C5H13N3O2S/c1-4(11(3,9)10)5(7-2)8-6/h4H,6H2,1-3H3,(H,7,8)
InChIKeyPZFPIXYNNITDSW-UHFFFAOYSA-N
XLogP-1.09
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-N'-methyl-2-methylsulfonylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-methylsulfonylpropanamide
CID 54261132
2-(N-amino-S-propan-2-ylsulfonimidoyl)propane
CID 167144720
ethyl (2S)-2-methylsulfonylpropanoate
CID 93493008
N'-cyclopropyl-2-methylsulfonylpropanimidamide
CID 116633495
N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide
CID 104520686
ethyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115589392
1-amino-2-ethyl-3-(1-methylsulfonylpropan-2-yl)guanidine
CID 104886692
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104519374
methyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115582753
2-methylsulfonylpropane
CID 163990602
N-cyano-2-methylsulfonylpropanamide
CID 104520389
2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 115731150

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-2-methylsulfonylpropanimidamide?
The IUPAC name of N-amino-N'-methyl-2-methylsulfonylpropanimidamide (CID 104521930) is N-amino-N'-methyl-2-methylsulfonylpropanimidamide.
What is the SMILES notation for N-amino-N'-methyl-2-methylsulfonylpropanimidamide?
The canonical SMILES for N-amino-N'-methyl-2-methylsulfonylpropanimidamide is C/N=C(\NN)C(C)S(C)(=O)=O.
What is the InChIKey of N-amino-N'-methyl-2-methylsulfonylpropanimidamide?
The InChIKey is PZFPIXYNNITDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S/c1-4(11(3,9)10)5(7-2)8-6/h4H,6H2,1-3H3,(H,7,8).
What are the key properties of N-amino-N'-methyl-2-methylsulfonylpropanimidamide?
N-amino-N'-methyl-2-methylsulfonylpropanimidamide has a molecular weight of 179.25 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-2-methylsulfonylpropanimidamide is sourced from PubChem (CID 104521930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).