2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline

C12H18N2O3S — CID 106773734

IUPAC2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline
SMILESC[C@@H]1COCCN1S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C12H18N2O3S/c1-10-8-17-7-6-14(10)18(15,16)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9,13H2,1H3/t10-/m1/s1
InChIKeyGAAQRPVHQMBQGN-SNVBAGLBSA-N
MW270.35 g/mol
LogP0.82
Rot. Bonds3

About 2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline

2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline (PubChem CID 106773734) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline.

Molecular Properties

Compound Name2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline
PubChem CID106773734
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline
SMILESC[C@@H]1COCCN1S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C12H18N2O3S/c1-10-8-17-7-6-14(10)18(15,16)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9,13H2,1H3/t10-/m1/s1
InChIKeyGAAQRPVHQMBQGN-SNVBAGLBSA-N
XLogP0.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]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

2-[(3-methylmorpholin-4-yl)sulfonylmethyl]benzonitrile
CID 43429177
4-[(2-aminophenyl)methylsulfonyl]-N-methylmorpholine-3-carboxamide
CID 83096817
(3R)-4-ethylsulfonyl-3-methylmorpholine
CID 106833772
3-methyl-2-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111021
4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide
CID 136520750
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
CID 110345614
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
CID 54888902
2-[(3-methylpiperidin-1-yl)sulfonylmethyl]aniline
CID 62021640
4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773841
[1-[(2-aminophenyl)methylsulfonyl]azepan-2-yl]methanol
CID 116633902
3-methyl-4-prop-2-ynylsulfonylmorpholine
CID 130620453
2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345598

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline?
The IUPAC name of 2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline (CID 106773734) is 2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline.
What is the SMILES notation for 2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline?
The canonical SMILES for 2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline is C[C@@H]1COCCN1S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline?
The InChIKey is GAAQRPVHQMBQGN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10-8-17-7-6-14(10)18(15,16)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9,13H2,1H3/t10-/m1/s1.
What are the key properties of 2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline?
2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline has a molecular weight of 270.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-methylmorpholin-4-yl]sulfonylmethyl]aniline is sourced from PubChem (CID 106773734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).