N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide

C14H22N2O4S — CID 63182703

IUPACN-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC(CO)c2ccccc2)CC(C)O1
InChIInChI=1S/C14H22N2O4S/c1-11-8-16(9-12(2)20-11)21(18,19)15-14(10-17)13-6-4-3-5-7-13/h3-7,11-12,14-15,17H,8-10H2,1-2H3
InChIKeyXVPACIOMYHLLOQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.66
Rot. Bonds5

About N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide

N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 63182703) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID63182703
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC(CO)c2ccccc2)CC(C)O1
InChIInChI=1S/C14H22N2O4S/c1-11-8-16(9-12(2)20-11)21(18,19)15-14(10-17)13-6-4-3-5-7-13/h3-7,11-12,14-15,17H,8-10H2,1-2H3
InChIKeyXVPACIOMYHLLOQ-UHFFFAOYSA-N
XLogP0.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-1-phenylethyl)azepane-1-sulfonamide
CID 63183108
(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylamino]-2-phenylacetamide
CID 100851411
N-[(1R)-2-hydroxy-1-phenylethyl]piperazine-1-sulfonamide
CID 107863412
(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 124670346
(2R,6R)-2,6-dimethyl-N-[(R)-phenyl(pyridin-2-yl)methyl]morpholine-4-sulfonamide
CID 98690603
N-(1-hydroxybutan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43501588
2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 110001912
N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide
CID 65030816
(2R)-2-(cyclopropylsulfamoylamino)-2-phenylethanol
CID 104919310
(2R,6S)-2,6-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 165470689
N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
CID 103825699
N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide
CID 42936366

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide (CID 63182703) is N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)NC(CO)c2ccccc2)CC(C)O1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is XVPACIOMYHLLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11-8-16(9-12(2)20-11)21(18,19)15-14(10-17)13-6-4-3-5-7-13/h3-7,11-12,14-15,17H,8-10H2,1-2H3.
What are the key properties of N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 63182703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).