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

C6H15N3O3S — CID 77038251

IUPACN'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide
SMILESCC(C)C(NS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-4(2)5(6(7)8-10)9-13(3,11)12/h4-5,9-10H,1-3H3,(H2,7,8)
InChIKeySWJMMXSWLBMSOZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.69
Rot. Bonds4

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

N'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide (PubChem CID 77038251) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is N'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide
PubChem CID77038251
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC NameN'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide
SMILESCC(C)C(NS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C6H15N3O3S/c1-4(2)5(6(7)8-10)9-13(3,11)12/h4-5,9-10H,1-3H3,(H2,7,8)
InChIKeySWJMMXSWLBMSOZ-UHFFFAOYSA-N
XLogP-0.69
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.69
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-2-(methanesulfonamido)-3-methylbutanimidamide?
The IUPAC name of N'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide (CID 77038251) is N'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide.
What is the SMILES notation for N'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide?
The canonical SMILES for N'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide is CC(C)C(NS(C)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide?
The InChIKey is SWJMMXSWLBMSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3S/c1-4(2)5(6(7)8-10)9-13(3,11)12/h4-5,9-10H,1-3H3,(H2,7,8).
What are the key properties of N'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide?
N'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide has a molecular weight of 209.27 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(methanesulfonamido)-3-methylbutanimidamide is sourced from PubChem (CID 77038251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).