(2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid

C14H13NO4S2 — CID 799925

IUPAC(2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1SCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO4S2/c16-14(17)13-15(7-8-20-13)21(18,19)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,17)/t13-/m0/s1
InChIKeyRYMKROKXVBLIBL-ZDUSSCGKSA-N
MW323.39 g/mol
LogP1.99
Rot. Bonds3

About (2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid

(2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid (PubChem CID 799925) has the molecular formula C14H13NO4S2 and a molecular weight of 323.39 g/mol. Its IUPAC name is (2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid
PubChem CID799925
Molecular FormulaC14H13NO4S2
Molecular Weight323.39 g/mol
Exact Mass323.03
IUPAC Name(2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1SCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO4S2/c16-14(17)13-15(7-8-20-13)21(18,19)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,17)/t13-/m0/s1
InChIKeyRYMKROKXVBLIBL-ZDUSSCGKSA-N
XLogP1.99
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-naphthalen-2-ylsulfonyl-2-phenyl-1,3-thiazolidine
CID 2848104
(2S)-1-naphthalen-2-ylsulfonyl-3-oxopyrrolidine-2-carboxylic acid
CID 70400393
1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
CID 146615097
2-(2-methoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
CID 3383864
(3S)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 2434906
(2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
CID 1111413
(2S)-3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid
CID 7374755
3-[4-(diethylaminodiazenyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylic acid
CID 3112808
6-methoxycarbonyl-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 69429564
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
1-methylsulfonyl-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 126477286
(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 8779523

Frequently Asked Questions

What is the IUPAC name of (2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of (2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid (CID 799925) is (2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for (2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid is O=C(O)[C@@H]1SCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is RYMKROKXVBLIBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13NO4S2/c16-14(17)13-15(7-8-20-13)21(18,19)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid?
(2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 799925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).