(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid

C14H17NO4S2 — CID 61141879

IUPAC(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H17NO4S2/c16-14(17)13-8-20-9-15(13)21(18,19)12-6-5-10-3-1-2-4-11(10)7-12/h5-7,13H,1-4,8-9H2,(H,16,17)/t13-/m0/s1
InChIKeyKYDHZRQJUCPCKO-ZDUSSCGKSA-N
MW327.43 g/mol
LogP1.71
Rot. Bonds3

About (4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61141879) has the molecular formula C14H17NO4S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61141879
Molecular FormulaC14H17NO4S2
Molecular Weight327.43 g/mol
Exact Mass327.06
IUPAC Name(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H17NO4S2/c16-14(17)13-8-20-9-15(13)21(18,19)12-6-5-10-3-1-2-4-11(10)7-12/h5-7,13H,1-4,8-9H2,(H,16,17)/t13-/m0/s1
InChIKeyKYDHZRQJUCPCKO-ZDUSSCGKSA-N
XLogP1.71
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43361535
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 647028
3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43113873
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361529
3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361514
(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6969895
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370777
(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 53211332
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone
CID 63846556
3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24705125
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61141879) is (4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of (4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KYDHZRQJUCPCKO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17NO4S2/c16-14(17)13-8-20-9-15(13)21(18,19)12-6-5-10-3-1-2-4-11(10)7-12/h5-7,13H,1-4,8-9H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 327.43 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61141879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).