2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide

C12H19N3O3S — CID 104957789

IUPAC2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide
SMILESC[C@@H]1CN(c2cccc(S(N)(=O)=O)c2N)C[C@H](C)O1
InChIInChI=1S/C12H19N3O3S/c1-8-6-15(7-9(2)18-8)10-4-3-5-11(12(10)13)19(14,16)17/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,16,17)/t8-,9+
InChIKeySUCIJJKVXXSGMT-DTORHVGOSA-N
MW285.37 g/mol
LogP0.53
Rot. Bonds2

About 2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide

2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide (PubChem CID 104957789) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide
PubChem CID104957789
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide
SMILESC[C@@H]1CN(c2cccc(S(N)(=O)=O)c2N)C[C@H](C)O1
InChIInChI=1S/C12H19N3O3S/c1-8-6-15(7-9(2)18-8)10-4-3-5-11(12(10)13)19(14,16)17/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,16,17)/t8-,9+
InChIKeySUCIJJKVXXSGMT-DTORHVGOSA-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 2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide?
The IUPAC name of 2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide (CID 104957789) is 2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide is C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2N)C[C@H](C)O1.
What is the InChIKey of 2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide?
The InChIKey is SUCIJJKVXXSGMT-DTORHVGOSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-6-15(7-9(2)18-8)10-4-3-5-11(12(10)13)19(14,16)17/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,16,17)/t8-,9+.
What are the key properties of 2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide?
2-amino-3-[(2S,6R)-2,6-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 2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide is sourced from PubChem (CID 104957789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).