N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide

C5H14N4O3S — CID 104978288

IUPACN'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide
SMILESCNS(=O)(=O)NC(C)(C)C(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-5(2,4(6)8-10)9-13(11,12)7-3/h7,9-10H,1-3H3,(H2,6,8)
InChIKeySZCNGFFXSBYZRZ-UHFFFAOYSA-N
MW210.26 g/mol
LogP-1.43
Rot. Bonds4

About N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide

N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide (PubChem CID 104978288) has the molecular formula C5H14N4O3S and a molecular weight of 210.26 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide
PubChem CID104978288
Molecular FormulaC5H14N4O3S
Molecular Weight210.26 g/mol
Exact Mass210.08
IUPAC NameN'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide
SMILESCNS(=O)(=O)NC(C)(C)C(N)=NO
InChIInChI=1S/C5H14N4O3S/c1-5(2,4(6)8-10)9-13(11,12)7-3/h7,9-10H,1-3H3,(H2,6,8)
InChIKeySZCNGFFXSBYZRZ-UHFFFAOYSA-N
XLogP-1.43
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 113637608
N'-hydroxy-2-(methylsulfamoylamino)propanimidamide
CID 104978263
2-(tert-butylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978264
N'-hydroxy-2-(propylsulfamoylamino)propanimidamide
CID 104978265
2-(ethylsulfamoylamino)-N'-hydroxypropanimidamide
CID 104978267
N'-hydroxy-2-(propan-2-ylsulfamoylamino)propanimidamide
CID 104978268
N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978270
2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978271
2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978282
2-(cyclopropylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978287
2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978289
N'-hydroxy-2-methyl-2-(propylsulfamoylamino)propanimidamide
CID 104978290

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide (CID 104978288) is N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide is CNS(=O)(=O)NC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide?
The InChIKey is SZCNGFFXSBYZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O3S/c1-5(2,4(6)8-10)9-13(11,12)7-3/h7,9-10H,1-3H3,(H2,6,8).
What are the key properties of N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide?
N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide has a molecular weight of 210.26 g/mol, XLogP of -1.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide is sourced from PubChem (CID 104978288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).