N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide

C4H11N3O2S — CID 59047923

IUPACN,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide
SMILES[2H]/N=C(\C(C)C)N([2H])S(=O)(=O)N[2H]
InChIInChI=1S/C4H11N3O2S/c1-3(2)4(5)7-10(6,8)9/h3H,1-2H3,(H2,5,7)(H2,6,8,9)/i/hD3
InChIKeyMOMRBGFTEQNYPR-ZRLBSURWSA-N
MW168.24 g/mol
LogP-0.59
Rot. Bonds3

About N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide

N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide (PubChem CID 59047923) has the molecular formula C4H11N3O2S and a molecular weight of 168.24 g/mol. Its IUPAC name is N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide
PubChem CID59047923
Molecular FormulaC4H11N3O2S
Molecular Weight168.24 g/mol
Exact Mass168.08
IUPAC NameN,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide
SMILES[2H]/N=C(\C(C)C)N([2H])S(=O)(=O)N[2H]
InChIInChI=1S/C4H11N3O2S/c1-3(2)4(5)7-10(6,8)9/h3H,1-2H3,(H2,5,7)(H2,6,8,9)/i/hD3
InChIKeyMOMRBGFTEQNYPR-ZRLBSURWSA-N
XLogP-0.59
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide 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',2-dimethyl-N-sulfamoylpropanimidamide
CID 20579155
N'-sulfamoylpropanimidamide
CID 21621089
(1-Amino-2-methylpropylidene)azanium;methyl sulfate
CID 22598516
N'-sulfamoylpropanimidamide
CID 54449604
2-methyl-N'-sulfamoylpropanimidamide
CID 58973048
N-deuterio-N-(deuteriosulfamoyl)-N',2-dimethylpropanimidamide
CID 59055359
2-methyl-N'-sulfamoylpropanimidamide
CID 72499820
Isobutyramidine sulphate
CID 86734093
2-Methylpropanimidamide;sulfo hydrogen sulfate
CID 87442057
N'-sulfamoylpropanimidamide
CID 117811863
1-Amino-2-methyl-1-sulfinatoiminopropane
CID 173491222
2-methyl-N'-sulfamoylpropanimidamide
CID 20826001

Frequently Asked Questions

What is the IUPAC name of N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide?
The IUPAC name of N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide (CID 59047923) is N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide.
What is the SMILES notation for N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide?
The canonical SMILES for N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide is [2H]/N=C(\C(C)C)N([2H])S(=O)(=O)N[2H].
What is the InChIKey of N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide?
The InChIKey is MOMRBGFTEQNYPR-ZRLBSURWSA-N. The full InChI is InChI=1S/C4H11N3O2S/c1-3(2)4(5)7-10(6,8)9/h3H,1-2H3,(H2,5,7)(H2,6,8,9)/i/hD3.
What are the key properties of N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide?
N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide has a molecular weight of 168.24 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dideuterio-N-(deuteriosulfamoyl)-2-methylpropanimidamide is sourced from PubChem (CID 59047923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).