4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide

C12H17N3O3S — CID 79676830

IUPAC4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(S(=O)(=O)c2ccccc2C)CCO1
InChIInChI=1S/C12H17N3O3S/c1-9-4-2-3-5-11(9)19(16,17)15-6-7-18-10(8-15)12(13)14/h2-5,10H,6-8H2,1H3,(H3,13,14)
InChIKeyXUVCKZHEWYPVNP-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.32
Rot. Bonds3

About 4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide

4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide (PubChem CID 79676830) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide
PubChem CID79676830
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(S(=O)(=O)c2ccccc2C)CCO1
InChIInChI=1S/C12H17N3O3S/c1-9-4-2-3-5-11(9)19(16,17)15-6-7-18-10(8-15)12(13)14/h2-5,10H,6-8H2,1H3,(H3,13,14)
InChIKeyXUVCKZHEWYPVNP-UHFFFAOYSA-N
XLogP0.32
TPSA96.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide?
The IUPAC name of 4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide (CID 79676830) is 4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide.
What is the SMILES notation for 4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide?
The canonical SMILES for 4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide is [H]/N=C(\N)C1CN(S(=O)(=O)c2ccccc2C)CCO1.
What is the InChIKey of 4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide?
The InChIKey is XUVCKZHEWYPVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-4-2-3-5-11(9)19(16,17)15-6-7-18-10(8-15)12(13)14/h2-5,10H,6-8H2,1H3,(H3,13,14).
What are the key properties of 4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide?
4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide has a molecular weight of 283.35 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)sulfonylmorpholine-2-carboximidamide is sourced from PubChem (CID 79676830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).