1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid

C13H16N2O5S — CID 43106825

IUPAC1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H16N2O5S/c16-13(17)12-9-10-3-1-2-4-11(10)15(12)21(18,19)14-5-7-20-8-6-14/h1-4,12H,5-9H2,(H,16,17)
InChIKeyGSQFDNCFDPCIEX-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.08
Rot. Bonds3

About 1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid

1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 43106825) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID43106825
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H16N2O5S/c16-13(17)12-9-10-3-1-2-4-11(10)15(12)21(18,19)14-5-7-20-8-6-14/h1-4,12H,5-9H2,(H,16,17)
InChIKeyGSQFDNCFDPCIEX-UHFFFAOYSA-N
XLogP0.08
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Indoline-2-carboxylic acid, (S)-
CID 2733920
Indoline-2-carboxylic acid, (R)-
CID 6928266
Indoline-2-carboxylic acid
CID 86074
Methyl indoline-2-carboxylate
CID 2794655
Pentopril
CID 6917815
Indoline-2-carboxylic acid, N-BOC protected
CID 2794663
methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
CID 7020378
(S)-Indoline-2-carboxylic acid ethyl ester
CID 11030625
Ethyl Indoline-2-carboxylate
CID 11949691
1-(4-Carboxy-2-methyl-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid ethyl ester
CID 13105683
1-(4-Ethoxycarbonyl-2-methyl-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 44459520
(S)-Ethyl indoline-2-carboxylate hydrochloride
CID 22822759

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid (CID 43106825) is 1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is GSQFDNCFDPCIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c16-13(17)12-9-10-3-1-2-4-11(10)15(12)21(18,19)14-5-7-20-8-6-14/h1-4,12H,5-9H2,(H,16,17).
What are the key properties of 1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 43106825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).