N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide

C15H22N2O4S — CID 95157981

IUPACN-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
SMILESC[C@H]1CN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC(C)(C)O1
InChIInChI=1S/C15H22N2O4S/c1-11-9-17(10-15(2,3)21-11)14(18)12-6-5-7-13(8-12)16-22(4,19)20/h5-8,11,16H,9-10H2,1-4H3/t11-/m0/s1
InChIKeyYIOMPIGRHUSGPX-NSHDSACASA-N
MW326.42 g/mol
LogP1.70
Rot. Bonds3

About N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide

N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide (PubChem CID 95157981) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
PubChem CID95157981
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
SMILESC[C@H]1CN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC(C)(C)O1
InChIInChI=1S/C15H22N2O4S/c1-11-9-17(10-15(2,3)21-11)14(18)12-6-5-7-13(8-12)16-22(4,19)20/h5-8,11,16H,9-10H2,1-4H3/t11-/m0/s1
InChIKeyYIOMPIGRHUSGPX-NSHDSACASA-N
XLogP1.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,6-trimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 48639893
[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129366969
(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114344244
N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55646310
N-[3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 47800118
(4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432382
N-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanesulfonamide
CID 134044195
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835
(3-amino-4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62681407
(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62511546
4-bromo-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 46674523

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide (CID 95157981) is N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide is C[C@H]1CN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC(C)(C)O1.
What is the InChIKey of N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide?
The InChIKey is YIOMPIGRHUSGPX-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-9-17(10-15(2,3)21-11)14(18)12-6-5-7-13(8-12)16-22(4,19)20/h5-8,11,16H,9-10H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide?
N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 95157981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).