(4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H20N2O3S — CID 114084097

IUPAC(4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)CCCNC1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-12(2)4-3-5-13-9(12)10(15)14-7-18-6-8(14)11(16)17/h8-9,13H,3-7H2,1-2H3,(H,16,17)/t8-,9?/m0/s1
InChIKeySCPWFJSSOXRJTB-IENPIDJESA-N
MW272.37 g/mol
LogP0.75
Rot. Bonds2

About (4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 114084097) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID114084097
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)CCCNC1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-12(2)4-3-5-13-9(12)10(15)14-7-18-6-8(14)11(16)17/h8-9,13H,3-7H2,1-2H3,(H,16,17)/t8-,9?/m0/s1
InChIKeySCPWFJSSOXRJTB-IENPIDJESA-N
XLogP0.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 114084097) is (4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1(C)CCCNC1C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SCPWFJSSOXRJTB-IENPIDJESA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-12(2)4-3-5-13-9(12)10(15)14-7-18-6-8(14)11(16)17/h8-9,13H,3-7H2,1-2H3,(H,16,17)/t8-,9?/m0/s1.
What are the key properties of (4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 114084097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).