3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide

C12H19N3O3S — CID 43544454

IUPAC3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(N)(=O)=O)cc2N)C(C)CO1
InChIInChI=1S/C12H19N3O3S/c1-8-7-18-9(2)6-15(8)12-4-3-10(5-11(12)13)19(14,16)17/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,16,17)
InChIKeyKMIQVVPTCACBJQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.53
Rot. Bonds2

About 3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide

3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide (PubChem CID 43544454) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide
PubChem CID43544454
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(N)(=O)=O)cc2N)C(C)CO1
InChIInChI=1S/C12H19N3O3S/c1-8-7-18-9(2)6-15(8)12-4-3-10(5-11(12)13)19(14,16)17/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,16,17)
InChIKeyKMIQVVPTCACBJQ-UHFFFAOYSA-N
XLogP0.53
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide (CID 43544454) is 3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide is CC1CN(c2ccc(S(N)(=O)=O)cc2N)C(C)CO1.
What is the InChIKey of 3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide?
The InChIKey is KMIQVVPTCACBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-7-18-9(2)6-15(8)12-4-3-10(5-11(12)13)19(14,16)17/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,16,17).
What are the key properties of 3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide?
3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,5-dimethylmorpholin-4-yl)benzenesulfonamide is sourced from PubChem (CID 43544454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).