[3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate

C13H19N3O5S — CID 27243445

IUPAC[3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate
SMILESCN(C)S(=O)(=O)Nc1cccc(OC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H19N3O5S/c1-15(2)22(18,19)14-11-4-3-5-12(10-11)21-13(17)16-6-8-20-9-7-16/h3-5,10,14H,6-9H2,1-2H3
InChIKeyMBTXZKOPYHYZHI-UHFFFAOYSA-N
MW329.38 g/mol
LogP0.74
Rot. Bonds4

About [3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate

[3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate (PubChem CID 27243445) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is [3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate
PubChem CID27243445
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC Name[3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate
SMILESCN(C)S(=O)(=O)Nc1cccc(OC(=O)N2CCOCC2)c1
InChIInChI=1S/C13H19N3O5S/c1-15(2)22(18,19)14-11-4-3-5-12(10-11)21-13(17)16-6-8-20-9-7-16/h3-5,10,14H,6-9H2,1-2H3
InChIKeyMBTXZKOPYHYZHI-UHFFFAOYSA-N
XLogP0.74
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(ethoxycarbonylamino)phenyl] morpholine-4-carboxylate
CID 163714434
[8-(morpholine-4-carbonyloxy)naphthalen-2-yl] morpholine-4-carboxylate
CID 649992
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] morpholine-4-carboxylate
CID 90095738
1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(6R)-4-methyl-1,4-oxazepan-6-yl]methyl]urea
CID 97453787
[2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
CID 5212603
[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl] morpholine-4-carboxylate
CID 127036830
(3R)-3-cyano-N-[3-(dimethylsulfamoylamino)phenyl]piperidine-1-carboxamide
CID 97435742
1-[3-(dimethylsulfamoylamino)phenyl]-3-[[(2R)-1,4-dioxan-2-yl]methyl]urea
CID 125180090
4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
CID 110352653
4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine
CID 110286962
[3-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] morpholine-4-carboxylate
CID 7243351
[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
CID 5145981

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate?
The IUPAC name of [3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate (CID 27243445) is [3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate?
The canonical SMILES for [3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate is CN(C)S(=O)(=O)Nc1cccc(OC(=O)N2CCOCC2)c1.
What is the InChIKey of [3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate?
The InChIKey is MBTXZKOPYHYZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-15(2)22(18,19)14-11-4-3-5-12(10-11)21-13(17)16-6-8-20-9-7-16/h3-5,10,14H,6-9H2,1-2H3.
What are the key properties of [3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate?
[3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate has a molecular weight of 329.38 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylsulfamoylamino)phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 27243445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).