4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine

C14H21N3O4S — CID 110286962

IUPAC4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine
SMILESCN(C)S(=O)(=O)N[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H21N3O4S/c1-16(2)22(19,20)15-13(12-6-4-3-5-7-12)14(18)17-8-10-21-11-9-17/h3-7,13,15H,8-11H2,1-2H3/t13-/m0/s1
InChIKeyYKHCCUOSPVLYAJ-ZDUSSCGKSA-N
MW327.41 g/mol
LogP-0.02
Rot. Bonds5

About 4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine

4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine (PubChem CID 110286962) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine.

Molecular Properties

Compound Name4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine
PubChem CID110286962
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine
SMILESCN(C)S(=O)(=O)N[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H21N3O4S/c1-16(2)22(19,20)15-13(12-6-4-3-5-7-12)14(18)17-8-10-21-11-9-17/h3-7,13,15H,8-11H2,1-2H3/t13-/m0/s1
InChIKeyYKHCCUOSPVLYAJ-ZDUSSCGKSA-N
XLogP-0.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966
3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286976
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-phenylacetamide
CID 110286922
2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175
ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone
CID 97227101
(2R)-2-(2,5-dimethylanilino)-1-morpholin-4-yl-2-phenylethanone
CID 51924051
(E)-2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306183
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine?
The IUPAC name of 4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine (CID 110286962) is 4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine.
What is the SMILES notation for 4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine?
The canonical SMILES for 4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine is CN(C)S(=O)(=O)N[C@H](C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine?
The InChIKey is YKHCCUOSPVLYAJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-16(2)22(19,20)15-13(12-6-4-3-5-7-12)14(18)17-8-10-21-11-9-17/h3-7,13,15H,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine?
4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine has a molecular weight of 327.41 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine is sourced from PubChem (CID 110286962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).