propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

C12H23NO2S — CID 21431793

IUPACpropyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1NC(C(C)C)SC1(C)C
InChIInChI=1S/C12H23NO2S/c1-6-7-15-11(14)9-12(4,5)16-10(13-9)8(2)3/h8-10,13H,6-7H2,1-5H3
InChIKeySKCLQUGZCPKXLF-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.41
Rot. Bonds4

About propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate (PubChem CID 21431793) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
PubChem CID21431793
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Namepropyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
SMILESCCCOC(=O)C1NC(C(C)C)SC1(C)C
InChIInChI=1S/C12H23NO2S/c1-6-7-15-11(14)9-12(4,5)16-10(13-9)8(2)3/h8-10,13H,6-7H2,1-5H3
InChIKeySKCLQUGZCPKXLF-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate (CID 21431793) is propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate is CCCOC(=O)C1NC(C(C)C)SC1(C)C.
What is the InChIKey of propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The InChIKey is SKCLQUGZCPKXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-6-7-15-11(14)9-12(4,5)16-10(13-9)8(2)3/h8-10,13H,6-7H2,1-5H3.
What are the key properties of propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate has a molecular weight of 245.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 21431793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).