2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid

C16H20N2O6S — CID 119248398

IUPAC2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCOC(CC(=O)O)C3)ccc21
InChIInChI=1S/C16H20N2O6S/c1-25(22,23)18-5-4-11-8-12(2-3-14(11)18)16(21)17-6-7-24-13(10-17)9-15(19)20/h2-3,8,13H,4-7,9-10H2,1H3,(H,19,20)
InChIKeyAOAFWUZPXMKAHL-UHFFFAOYSA-N
MW368.41 g/mol
LogP0.32
Rot. Bonds4

About 2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid

2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 119248398) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid
PubChem CID119248398
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCOC(CC(=O)O)C3)ccc21
InChIInChI=1S/C16H20N2O6S/c1-25(22,23)18-5-4-11-8-12(2-3-14(11)18)16(21)17-6-7-24-13(10-17)9-15(19)20/h2-3,8,13H,4-7,9-10H2,1H3,(H,19,20)
InChIKeyAOAFWUZPXMKAHL-UHFFFAOYSA-N
XLogP0.32
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119210660
(3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 119378639
1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindol-2-yl-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 128595759
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 94021130
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid
CID 119247842
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 120745349
(3,5-dimethylpiperidin-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 43016800

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid (CID 119248398) is 2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid is CS(=O)(=O)N1CCc2cc(C(=O)N3CCOC(CC(=O)O)C3)ccc21.
What is the InChIKey of 2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is AOAFWUZPXMKAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c1-25(22,23)18-5-4-11-8-12(2-3-14(11)18)16(21)17-6-7-24-13(10-17)9-15(19)20/h2-3,8,13H,4-7,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 368.41 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).