(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide

C14H20N2O4S — CID 95337073

IUPAC(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H20N2O4S/c1-10-8-16(9-11(2)20-10)21(18,19)15-14-6-4-5-13(7-14)12(3)17/h4-7,10-11,15H,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyGQFCJQUACDGICQ-QWRGUYRKSA-N
MW312.39 g/mol
LogP1.66
Rot. Bonds4

About (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide

(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 95337073) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID95337073
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C14H20N2O4S/c1-10-8-16(9-11(2)20-10)21(18,19)15-14-6-4-5-13(7-14)12(3)17/h4-7,10-11,15H,8-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyGQFCJQUACDGICQ-QWRGUYRKSA-N
XLogP1.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8900075
N-(3-acetylphenyl)oxane-4-sulfonamide
CID 62048626
2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide
CID 43604137
(3-acetylphenyl)sulfamic acid
CID 12629151
N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43604677
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
N-[3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 28775811
N-(3-acetylphenyl)-1-chloromethanesulfonamide
CID 63666365
N-(3-acetamidophenyl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55335559

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide (CID 95337073) is (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is GQFCJQUACDGICQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-8-16(9-11(2)20-10)21(18,19)15-14-6-4-5-13(7-14)12(3)17/h4-7,10-11,15H,8-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide?
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 95337073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).