(3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide

C14H21N3O4S — CID 94031214

IUPAC(3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)N2CCOC[C@@H]2C)c1
InChIInChI=1S/C14H21N3O4S/c1-11-10-21-7-6-17(11)14(18)16-9-12-4-3-5-13(8-12)22(19,20)15-2/h3-5,8,11,15H,6-7,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyFAFBBXDWJIGPCD-NSHDSACASA-N
MW327.41 g/mol
LogP0.52
Rot. Bonds4

About (3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide

(3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 94031214) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is (3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID94031214
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name(3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)N2CCOC[C@@H]2C)c1
InChIInChI=1S/C14H21N3O4S/c1-11-10-21-7-6-17(11)14(18)16-9-12-4-3-5-13(8-12)22(19,20)15-2/h3-5,8,11,15H,6-7,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyFAFBBXDWJIGPCD-NSHDSACASA-N
XLogP0.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
(2S)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031216
(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031215
(2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 138049611
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylmorpholine-4-carboxamide
CID 71940734
(3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 94066498
N-[(3-sulfamoylphenyl)methyl]morpholine-4-carboxamide
CID 113224255
2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 49262524
(2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 34687941
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 34685373
3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide
CID 71859638
2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34640391

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide (CID 94031214) is (3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)N2CCOC[C@@H]2C)c1.
What is the InChIKey of (3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is FAFBBXDWJIGPCD-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11-10-21-7-6-17(11)14(18)16-9-12-4-3-5-13(8-12)22(19,20)15-2/h3-5,8,11,15H,6-7,9-10H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide?
(3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 94031214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).