3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

C12H18N2O3S — CID 93111021

IUPAC3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESCc1cccc(N)c1S(=O)(=O)N1CCOC[C@H]1C
InChIInChI=1S/C12H18N2O3S/c1-9-4-3-5-11(13)12(9)18(15,16)14-6-7-17-8-10(14)2/h3-5,10H,6-8,13H2,1-2H3/t10-/m1/s1
InChIKeyUTQMRNDOCYGJLZ-SNVBAGLBSA-N
MW270.35 g/mol
LogP0.99
Rot. Bonds2

About 3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline

3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (PubChem CID 93111021) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.

Molecular Properties

Compound Name3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
PubChem CID93111021
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
SMILESCc1cccc(N)c1S(=O)(=O)N1CCOC[C@H]1C
InChIInChI=1S/C12H18N2O3S/c1-9-4-3-5-11(13)12(9)18(15,16)14-6-7-17-8-10(14)2/h3-5,10H,6-8,13H2,1-2H3/t10-/m1/s1
InChIKeyUTQMRNDOCYGJLZ-SNVBAGLBSA-N
XLogP0.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
CID 83096974
2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline
CID 62332105
2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773727
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
CID 107326726
3,5-dibromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773824
2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline
CID 106773734
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
CID 54888902
2-(3,4-dimethylpiperazin-1-yl)sulfonyl-3-methylaniline
CID 63604384
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-3-methylaniline
CID 82746459
2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 107343186
2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773806

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The IUPAC name of 3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline (CID 93111021) is 3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline.
What is the SMILES notation for 3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The canonical SMILES for 3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is Cc1cccc(N)c1S(=O)(=O)N1CCOC[C@H]1C.
What is the InChIKey of 3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
The InChIKey is UTQMRNDOCYGJLZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-4-3-5-11(13)12(9)18(15,16)14-6-7-17-8-10(14)2/h3-5,10H,6-8,13H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline?
3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline has a molecular weight of 270.35 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline is sourced from PubChem (CID 93111021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).