(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C6H11NO2S — CID 2817450

IUPAC(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SCN[C@H]1C(=O)O
InChIInChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyPMQQFSDIECYOQV-BYPYZUCNSA-N
MW161.23 g/mol
LogP0.51
Rot. Bonds1

About (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2817450) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID2817450
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SCN[C@H]1C(=O)O
InChIInChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyPMQQFSDIECYOQV-BYPYZUCNSA-N
XLogP0.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 2817450) is (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SCN[C@H]1C(=O)O.
What is the InChIKey of (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PMQQFSDIECYOQV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 161.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2817450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).