2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide

C11H17N3O3S — CID 107116642

IUPAC2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(N2CCCO2)c1N
InChIInChI=1S/C11H17N3O3S/c1-13(2)18(15,16)10-6-3-5-9(11(10)12)14-7-4-8-17-14/h3,5-6H,4,7-8,12H2,1-2H3
InChIKeyDESOIENUDHXYNB-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.66
Rot. Bonds3

About 2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide

2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide (PubChem CID 107116642) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
PubChem CID107116642
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(N2CCCO2)c1N
InChIInChI=1S/C11H17N3O3S/c1-13(2)18(15,16)10-6-3-5-9(11(10)12)14-7-4-8-17-14/h3,5-6H,4,7-8,12H2,1-2H3
InChIKeyDESOIENUDHXYNB-UHFFFAOYSA-N
XLogP0.66
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(azepan-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107115405
4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
CID 113375357
2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide
CID 107116226
2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107116779
2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 107116898
2-amino-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107116905
2-amino-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107116911
2-amino-3-[cyclobutylmethyl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116258
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
CID 107116318
2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115669
2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide
CID 115992384

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide (CID 107116642) is 2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(N2CCCO2)c1N.
What is the InChIKey of 2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide?
The InChIKey is DESOIENUDHXYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-13(2)18(15,16)10-6-3-5-9(11(10)12)14-7-4-8-17-14/h3,5-6H,4,7-8,12H2,1-2H3.
What are the key properties of 2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide?
2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 107116642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).