5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide

C12H19N3O3S — CID 79896483

IUPAC5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide
SMILESCc1c(NC2CCCOC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-8-11(15-10-3-2-4-18-7-10)5-9(13)6-12(8)19(14,16)17/h5-6,10,15H,2-4,7,13H2,1H3,(H2,14,16,17)
InChIKeyQNEYDYXRVQCKBV-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.82
Rot. Bonds3

About 5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide

5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide (PubChem CID 79896483) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide
PubChem CID79896483
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide
SMILESCc1c(NC2CCCOC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-8-11(15-10-3-2-4-18-7-10)5-9(13)6-12(8)19(14,16)17/h5-6,10,15H,2-4,7,13H2,1H3,(H2,14,16,17)
InChIKeyQNEYDYXRVQCKBV-UHFFFAOYSA-N
XLogP0.82
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-3-[(2-methylcyclohexyl)amino]benzenesulfonamide
CID 79896994
5-amino-2-methyl-3-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106183083
2-methyl-5-(oxepan-4-ylamino)benzenesulfonamide
CID 65077103
3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 107100983
5-amino-2-methyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 79901828
3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide
CID 79896218
2-amino-4,5-dimethyl-N-(oxan-3-yl)benzenesulfonamide
CID 63360464
3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide
CID 79900685
5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide
CID 79901581
4,5-dimethoxy-2-N-(oxan-3-yl)benzene-1,2-diamine
CID 83001063
5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide
CID 79900416
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide (CID 79896483) is 5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide is Cc1c(NC2CCCOC2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide?
The InChIKey is QNEYDYXRVQCKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-11(15-10-3-2-4-18-7-10)5-9(13)6-12(8)19(14,16)17/h5-6,10,15H,2-4,7,13H2,1H3,(H2,14,16,17).
What are the key properties of 5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide?
5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-(oxan-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 79896483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).