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

C11H17N3O3S — CID 113375357

IUPAC4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(N2CCCO2)c1
InChIInChI=1S/C11H17N3O3S/c1-13(2)18(15,16)9-4-5-10(12)11(8-9)14-6-3-7-17-14/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyRTDGORJVCHOTCR-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.66
Rot. Bonds3

About 4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide

4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide (PubChem CID 113375357) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
PubChem CID113375357
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(N2CCCO2)c1
InChIInChI=1S/C11H17N3O3S/c1-13(2)18(15,16)9-4-5-10(12)11(8-9)14-6-3-7-17-14/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeyRTDGORJVCHOTCR-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

4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide
CID 82898104
4-amino-N,N-dimethyl-3-thiomorpholin-4-ylbenzenesulfonamide
CID 82900313
2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
CID 107116642
4-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylbenzenesulfonamide
CID 82899679
4-amino-N,N-dimethyl-3-(2-methylazepan-1-yl)benzenesulfonamide
CID 82902880
4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
CID 82902010
4-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 115964836
4-amino-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 102777266
4-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)-N,N-dimethylbenzenesulfonamide
CID 82898967
4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 3024163
4-amino-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 82903767

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide (CID 113375357) is 4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(N2CCCO2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide?
The InChIKey is RTDGORJVCHOTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-13(2)18(15,16)9-4-5-10(12)11(8-9)14-6-3-7-17-14/h4-5,8H,3,6-7,12H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide?
4-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 4-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 113375357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).