1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid

C14H18N2O4S — CID 43097620

IUPAC1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H18N2O4S/c17-14(18)13-10-11-6-2-3-7-12(11)16(13)21(19,20)15-8-4-1-5-9-15/h2-3,6-7,13H,1,4-5,8-10H2,(H,17,18)
InChIKeyMMOCDCRQCXPZEJ-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.23
Rot. Bonds3

About 1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid

1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 43097620) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID43097620
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H18N2O4S/c17-14(18)13-10-11-6-2-3-7-12(11)16(13)21(19,20)15-8-4-1-5-9-15/h2-3,6-7,13H,1,4-5,8-10H2,(H,17,18)
InChIKeyMMOCDCRQCXPZEJ-UHFFFAOYSA-N
XLogP1.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43106825
1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 61066000
1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
(2S)-1-tert-butylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 55232020
(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 154745822
1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid
CID 126802773
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 164640962
(2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104977885
1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 174407664
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 102554077

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid (CID 43097620) is 1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is MMOCDCRQCXPZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-14(18)13-10-11-6-2-3-7-12(11)16(13)21(19,20)15-8-4-1-5-9-15/h2-3,6-7,13H,1,4-5,8-10H2,(H,17,18).
What are the key properties of 1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 310.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 43097620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).