N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide

C10H19N3O2S — CID 77016248

IUPACN'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide
SMILESCC1CSCCN1C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C10H19N3O2S/c1-7-6-16-5-4-13(7)9(14)10(2,3)8(11)12-15/h7,15H,4-6H2,1-3H3,(H2,11,12)
InChIKeyGKMWJJQAOCZIJO-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.72
Rot. Bonds2

About N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide

N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide (PubChem CID 77016248) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide
PubChem CID77016248
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide
SMILESCC1CSCCN1C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C10H19N3O2S/c1-7-6-16-5-4-13(7)9(14)10(2,3)8(11)12-15/h7,15H,4-6H2,1-3H3,(H2,11,12)
InChIKeyGKMWJJQAOCZIJO-UHFFFAOYSA-N
XLogP0.72
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
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-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide (CID 77016248) is N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide is CC1CSCCN1C(=O)C(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide?
The InChIKey is GKMWJJQAOCZIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-7-6-16-5-4-13(7)9(14)10(2,3)8(11)12-15/h7,15H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide?
N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide has a molecular weight of 245.35 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-(3-methylthiomorpholin-4-yl)-3-oxopropanimidamide is sourced from PubChem (CID 77016248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).