(2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C13H16O4S — CID 144958529

IUPAC(2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESC[C@H]1C(S(C)(=O)=O)c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C13H16O4S/c1-8-11(13(14)15)7-9-5-3-4-6-10(9)12(8)18(2,16)17/h3-6,8,11-12H,7H2,1-2H3,(H,14,15)/t8-,11-,12?/m1/s1
InChIKeyDNLFXCSQKSSXLS-LYFNNULSSA-N
MW268.33 g/mol
LogP1.67
Rot. Bonds2

About (2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

(2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 144958529) has the molecular formula C13H16O4S and a molecular weight of 268.33 g/mol. Its IUPAC name is (2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID144958529
Molecular FormulaC13H16O4S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name(2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESC[C@H]1C(S(C)(=O)=O)c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C13H16O4S/c1-8-11(13(14)15)7-9-5-3-4-6-10(9)12(8)18(2,16)17/h3-6,8,11-12H,7H2,1-2H3,(H,14,15)/t8-,11-,12?/m1/s1
InChIKeyDNLFXCSQKSSXLS-LYFNNULSSA-N
XLogP1.67
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone
CID 15420517
(1S,2R)-1-[2,6-dimethyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 69065891
1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid
CID 87579467
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 140974945
1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 69064567
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonamide
CID 130687139
benzyl [(2R,3R)-2-methyl-3-[methyl-(5-oxo-4H-1,2,4-oxadiazol-3-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonylformate
CID 137305188
ethane;(3R)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 159380558
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 144958529) is (2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is C[C@H]1C(S(C)(=O)=O)c2ccccc2C[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is DNLFXCSQKSSXLS-LYFNNULSSA-N. The full InChI is InChI=1S/C13H16O4S/c1-8-11(13(14)15)7-9-5-3-4-6-10(9)12(8)18(2,16)17/h3-6,8,11-12H,7H2,1-2H3,(H,14,15)/t8-,11-,12?/m1/s1.
What are the key properties of (2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
(2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 268.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 144958529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).