tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate

C15H28N2O3S — CID 101051615

IUPACtert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CSC1(C)C
InChIInChI=1S/C15H28N2O3S/c1-13(2,3)16-11(18)10-15(7,8)21-9-17(10)12(19)20-14(4,5)6/h10H,9H2,1-8H3,(H,16,18)/t10-/m0/s1
InChIKeyNCUUMYWJCGNVNK-JTQLQIEISA-N
MW316.47 g/mol
LogP2.99
Rot. Bonds1

About tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate

tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate (PubChem CID 101051615) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate
PubChem CID101051615
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Nametert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CSC1(C)C
InChIInChI=1S/C15H28N2O3S/c1-13(2,3)16-11(18)10-15(7,8)21-9-17(10)12(19)20-14(4,5)6/h10H,9H2,1-8H3,(H,16,18)/t10-/m0/s1
InChIKeyNCUUMYWJCGNVNK-JTQLQIEISA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-5,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 17040129
tert-butyl (4R)-4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidine-3-carboxylate
CID 44596799
(2S)-2-amino-4-methylsulfanylbutanoic acid;3-O-tert-butyl 4-O-methyl 5,5-dimethyl-1,3-thiazolidine-3,4-dicarboxylate
CID 67631467
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
tert-butyl (2S,3R)-2-(tert-butylcarbamoyl)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 22872710
tert-butyl 2-(tert-butylcarbamoyloxy)pyrrolidine-1-carboxylate
CID 143133647
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazinane-4-carboxylic acid
CID 91664287
tert-butyl N-[4-[4-(benzylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
CID 21043096
tert-butyl (3R)-4-acetyl-3-(tert-butylcarbamoyl)piperazine-1-carboxylate
CID 10806125
1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxy-3,3-dimethylpyrrolidine-1,2-dicarboxylate
CID 66828744
1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxy-3,3,4-trimethylpyrrolidine-1,2-dicarboxylate
CID 66828798

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate (CID 101051615) is tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate is CC(C)(C)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CSC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate?
The InChIKey is NCUUMYWJCGNVNK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-13(2,3)16-11(18)10-15(7,8)21-9-17(10)12(19)20-14(4,5)6/h10H,9H2,1-8H3,(H,16,18)/t10-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate?
tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate has a molecular weight of 316.47 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 101051615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).