N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide

C5H13N3O3S — CID 76953313

IUPACN'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide
SMILESCC(CNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C5H13N3O3S/c1-4(5(6)8-9)3-7-12(2,10)11/h4,7,9H,3H2,1-2H3,(H2,6,8)
InChIKeyBKEIRNQIKOARHC-UHFFFAOYSA-N
MW195.24 g/mol
LogP-1.08
Rot. Bonds4

About N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide

N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide (PubChem CID 76953313) has the molecular formula C5H13N3O3S and a molecular weight of 195.24 g/mol. Its IUPAC name is N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide
PubChem CID76953313
Molecular FormulaC5H13N3O3S
Molecular Weight195.24 g/mol
Exact Mass195.07
IUPAC NameN'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide
SMILESCC(CNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C5H13N3O3S/c1-4(5(6)8-9)3-7-12(2,10)11/h4,7,9H,3H2,1-2H3,(H2,6,8)
InChIKeyBKEIRNQIKOARHC-UHFFFAOYSA-N
XLogP-1.08
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide (CID 76953313) is N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide is CC(CNS(C)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide?
The InChIKey is BKEIRNQIKOARHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O3S/c1-4(5(6)8-9)3-7-12(2,10)11/h4,7,9H,3H2,1-2H3,(H2,6,8).
What are the key properties of N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide?
N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide has a molecular weight of 195.24 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(methanesulfonamido)-2-methylpropanimidamide is sourced from PubChem (CID 76953313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).