(4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide

C7H12N2O4S — CID 95987453

IUPAC(4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)N(C=O)[C@H](C(N)=O)CS1(=O)=O
InChIInChI=1S/C7H12N2O4S/c1-7(2)9(4-10)5(6(8)11)3-14(7,12)13/h4-5H,3H2,1-2H3,(H2,8,11)/t5-/m0/s1
InChIKeyBLIABKVMKRSZIV-YFKPBYRVSA-N
MW220.25 g/mol
LogP-1.54
Rot. Bonds2

About (4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide

(4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide (PubChem CID 95987453) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is (4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide
PubChem CID95987453
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC Name(4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)N(C=O)[C@H](C(N)=O)CS1(=O)=O
InChIInChI=1S/C7H12N2O4S/c1-7(2)9(4-10)5(6(8)11)3-14(7,12)13/h4-5H,3H2,1-2H3,(H2,8,11)/t5-/m0/s1
InChIKeyBLIABKVMKRSZIV-YFKPBYRVSA-N
XLogP-1.54
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzyl (4S)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate
CID 23738601
(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxamide
CID 110192497
(2R)-1-formylpyrrolidine-2-carboxamide
CID 144804081
tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate
CID 66630657
2-carbamoyl-4,4-dimethylpyrrolidine-1-carboxylic acid
CID 90203134
ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide
CID 143879707
(2S)-1-methylazetidine-2-carboxamide
CID 59708444
(2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide
CID 139999133
1-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidine-4-carboxamide
CID 30534375
4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174906357
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-oxaldehydoylpiperidine-2-carboxamide
CID 123380194

Frequently Asked Questions

What is the IUPAC name of (4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide (CID 95987453) is (4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide is CC1(C)N(C=O)[C@H](C(N)=O)CS1(=O)=O.
What is the InChIKey of (4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is BLIABKVMKRSZIV-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O4S/c1-7(2)9(4-10)5(6(8)11)3-14(7,12)13/h4-5H,3H2,1-2H3,(H2,8,11)/t5-/m0/s1.
What are the key properties of (4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide?
(4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 220.25 g/mol, XLogP of -1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95987453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).