2-methyl-3-(oxazinan-2-ylsulfonyl)aniline

C11H16N2O3S — CID 113375345

IUPAC2-methyl-3-(oxazinan-2-ylsulfonyl)aniline
SMILESCc1c(N)cccc1S(=O)(=O)N1CCCCO1
InChIInChI=1S/C11H16N2O3S/c1-9-10(12)5-4-6-11(9)17(14,15)13-7-2-3-8-16-13/h4-6H,2-3,7-8,12H2,1H3
InChIKeyGETHFMOLUUSDNI-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.29
Rot. Bonds2

About 2-methyl-3-(oxazinan-2-ylsulfonyl)aniline

2-methyl-3-(oxazinan-2-ylsulfonyl)aniline (PubChem CID 113375345) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-methyl-3-(oxazinan-2-ylsulfonyl)aniline.

Molecular Properties

Compound Name2-methyl-3-(oxazinan-2-ylsulfonyl)aniline
PubChem CID113375345
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-methyl-3-(oxazinan-2-ylsulfonyl)aniline
SMILESCc1c(N)cccc1S(=O)(=O)N1CCCCO1
InChIInChI=1S/C11H16N2O3S/c1-9-10(12)5-4-6-11(9)17(14,15)13-7-2-3-8-16-13/h4-6H,2-3,7-8,12H2,1H3
InChIKeyGETHFMOLUUSDNI-UHFFFAOYSA-N
XLogP1.29
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(oxazinan-2-ylsulfonyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-(oxazinan-2-ylsulfonyl)aniline
CID 113375337
2-naphthalen-1-ylsulfonyloxazinane
CID 114795467
4-(3-amino-2-methylphenyl)sulfonylpiperazine-1-sulfonamide
CID 61125660
2,5-diethyl-3-(oxazinan-2-ylsulfonyl)aniline
CID 107406883
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline
CID 106492016
4-chloro-2-fluoro-5-(oxazinan-2-ylsulfonyl)aniline
CID 113375351
1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43096916
sodium 3-amino-2-methylbenzenesulfonate
CID 101303613
3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 83012919
3,5-difluoro-4-(oxazinan-2-ylsulfonyl)aniline
CID 113375332
3-[1-(3-amino-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxazinan-2-ylsulfonyl)aniline?
The IUPAC name of 2-methyl-3-(oxazinan-2-ylsulfonyl)aniline (CID 113375345) is 2-methyl-3-(oxazinan-2-ylsulfonyl)aniline.
What is the SMILES notation for 2-methyl-3-(oxazinan-2-ylsulfonyl)aniline?
The canonical SMILES for 2-methyl-3-(oxazinan-2-ylsulfonyl)aniline is Cc1c(N)cccc1S(=O)(=O)N1CCCCO1.
What is the InChIKey of 2-methyl-3-(oxazinan-2-ylsulfonyl)aniline?
The InChIKey is GETHFMOLUUSDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9-10(12)5-4-6-11(9)17(14,15)13-7-2-3-8-16-13/h4-6H,2-3,7-8,12H2,1H3.
What are the key properties of 2-methyl-3-(oxazinan-2-ylsulfonyl)aniline?
2-methyl-3-(oxazinan-2-ylsulfonyl)aniline has a molecular weight of 256.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxazinan-2-ylsulfonyl)aniline is sourced from PubChem (CID 113375345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).