N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide

C13H20N2O3S — CID 7068957

IUPACN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
SMILESC[C@H]1CN(c2ccc(NS(C)(=O)=O)cc2)C[C@H](C)O1
InChIInChI=1S/C13H20N2O3S/c1-10-8-15(9-11(2)18-10)13-6-4-12(5-7-13)14-19(3,16)17/h4-7,10-11,14H,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyPLHYSNNEQFBYFR-QWRGUYRKSA-N
MW284.38 g/mol
LogP1.67
Rot. Bonds3

About N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide (PubChem CID 7068957) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
PubChem CID7068957
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
SMILESC[C@H]1CN(c2ccc(NS(C)(=O)=O)cc2)C[C@H](C)O1
InChIInChI=1S/C13H20N2O3S/c1-10-8-15(9-11(2)18-10)13-6-4-12(5-7-13)14-19(3,16)17/h4-7,10-11,14H,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyPLHYSNNEQFBYFR-QWRGUYRKSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376755
N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70839201
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide
CID 20630106
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde
CID 28603596
N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
CID 15735407
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline
CID 118407332
O-methyl N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]carbamothioate
CID 6934493
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(4-methylsulfonylphenoxy)acetamide
CID 49151791
N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 91661182

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide (CID 7068957) is N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide is C[C@H]1CN(c2ccc(NS(C)(=O)=O)cc2)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide?
The InChIKey is PLHYSNNEQFBYFR-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-8-15(9-11(2)18-10)13-6-4-12(5-7-13)14-19(3,16)17/h4-7,10-11,14H,8-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide?
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 7068957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).