1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one

C12H25NOS — CID 138525597

IUPAC1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CS(C)(C)CN1C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-7-11(14)10-8-15(5,6)9-13(10)12(2,3)4/h10H,7-9H2,1-6H3/t10-/m0/s1
InChIKeyKIWGIXPXJXGFBT-JTQLQIEISA-N
MW231.40 g/mol
LogP2.47
Rot. Bonds2

About 1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one

1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one (PubChem CID 138525597) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one
PubChem CID138525597
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one
SMILESCCC(=O)[C@@H]1CS(C)(C)CN1C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-7-11(14)10-8-15(5,6)9-13(10)12(2,3)4/h10H,7-9H2,1-6H3/t10-/m0/s1
InChIKeyKIWGIXPXJXGFBT-JTQLQIEISA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R,6S)-2,5-ditert-butyl-5-azaspiro[2.4]heptan-6-yl]propan-1-one
CID 71152622
1-(2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-1-yl)propan-1-one
CID 71195850
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
1-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]propan-1-one
CID 89043897
1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 20752718
1-[(5R,8S)-10,10-dimethyl-7-(2-methylbutan-2-yl)-7-azadispiro[3.0.45.14]decan-8-yl]propan-1-one
CID 70863446
1-(4-hydroxycyclohexyl)propan-1-one
CID 51039861
1-(1-aminopiperidin-2-yl)propan-1-one
CID 57118405
1-(1-acetylpiperidin-2-yl)propan-1-one
CID 45119530
1-[1-(1-methylpiperidin-4-yl)piperidin-2-yl]propan-1-one
CID 147351272
1-(azetidin-3-yl)propan-1-one;hydrochloride
CID 142435570
(1-tert-butyl-5-propanoylpyrrolidin-3-yl) 4-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 71195749

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one?
The IUPAC name of 1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one (CID 138525597) is 1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one?
The canonical SMILES for 1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one is CCC(=O)[C@@H]1CS(C)(C)CN1C(C)(C)C.
What is the InChIKey of 1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one?
The InChIKey is KIWGIXPXJXGFBT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25NOS/c1-7-11(14)10-8-15(5,6)9-13(10)12(2,3)4/h10H,7-9H2,1-6H3/t10-/m0/s1.
What are the key properties of 1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one?
1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one has a molecular weight of 231.40 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3-tert-butyl-1,1-dimethyl-1,3-thiazolidin-4-yl]propan-1-one is sourced from PubChem (CID 138525597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).