(4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid

C10H15NO2S — CID 107773752

IUPAC(4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(C2CC=CCC2)N1
InChIInChI=1S/C10H15NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-2,7-9,11H,3-6H2,(H,12,13)/t7?,8-,9?/m1/s1
InChIKeyKORGWTQUZHJROE-QJAFJHJLSA-N
MW213.30 g/mol
LogP1.46
Rot. Bonds2

About (4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid

(4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107773752) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID107773752
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(C2CC=CCC2)N1
InChIInChI=1S/C10H15NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-2,7-9,11H,3-6H2,(H,12,13)/t7?,8-,9?/m1/s1
InChIKeyKORGWTQUZHJROE-QJAFJHJLSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid (CID 107773752) is (4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CSC(C2CC=CCC2)N1.
What is the InChIKey of (4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KORGWTQUZHJROE-QJAFJHJLSA-N. The full InChI is InChI=1S/C10H15NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-2,7-9,11H,3-6H2,(H,12,13)/t7?,8-,9?/m1/s1.
What are the key properties of (4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 213.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107773752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).