(2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide

C18H26N4O5S — CID 9171233

IUPAC(2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN3C(N)=O)cc2)C[C@H](C)O1
InChIInChI=1S/C18H26N4O5S/c1-12-10-21(11-13(2)27-12)28(25,26)15-7-5-14(6-8-15)20-17(23)16-4-3-9-22(16)18(19)24/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H2,19,24)(H,20,23)/t12-,13-,16-/m0/s1
InChIKeyDEEKNMPUOVYLSB-XEZPLFJOSA-N
MW410.50 g/mol
LogP0.97
Rot. Bonds4

About (2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide

(2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 9171233) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is (2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID9171233
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC Name(2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN3C(N)=O)cc2)C[C@H](C)O1
InChIInChI=1S/C18H26N4O5S/c1-12-10-21(11-13(2)27-12)28(25,26)15-7-5-14(6-8-15)20-17(23)16-4-3-9-22(16)18(19)24/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H2,19,24)(H,20,23)/t12-,13-,16-/m0/s1
InChIKeyDEEKNMPUOVYLSB-XEZPLFJOSA-N
XLogP0.97
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51152560
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide
CID 43063026
(2S)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41183676
(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide
CID 9086541
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 41170655
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
(2R)-N-(4-fluorophenyl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 92508644
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677
dimethyl (E)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]but-2-enedioate
CID 168570463
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2089690

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide (CID 9171233) is (2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide is C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN3C(N)=O)cc2)C[C@H](C)O1.
What is the InChIKey of (2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is DEEKNMPUOVYLSB-XEZPLFJOSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-12-10-21(11-13(2)27-12)28(25,26)15-7-5-14(6-8-15)20-17(23)16-4-3-9-22(16)18(19)24/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H2,19,24)(H,20,23)/t12-,13-,16-/m0/s1.
What are the key properties of (2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 410.50 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 9171233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).