(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one

C9H15N3O2S — CID 119634263

IUPAC(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESNCC1CCCN1C(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C9H15N3O2S/c10-4-6-2-1-3-12(6)8(13)7-5-15-9(14)11-7/h6-7H,1-5,10H2,(H,11,14)/t6?,7-/m0/s1
InChIKeyNPGXDTBYESRDTE-MLWJPKLSSA-N
MW229.30 g/mol
LogP-0.24
Rot. Bonds2

About (4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one

(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one (PubChem CID 119634263) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is (4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
PubChem CID119634263
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESNCC1CCCN1C(=O)[C@@H]1CSC(=O)N1
InChIInChI=1S/C9H15N3O2S/c10-4-6-2-1-3-12(6)8(13)7-5-15-9(14)11-7/h6-7H,1-5,10H2,(H,11,14)/t6?,7-/m0/s1
InChIKeyNPGXDTBYESRDTE-MLWJPKLSSA-N
XLogP-0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 62468059
4-[2-(hydroxymethyl)azepane-1-carbonyl]-1,3-thiazolidin-2-one
CID 116636142
(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 28789670
(4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119486878
(4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride
CID 119483069
(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144554
(4R)-4-(2,3-dimethylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
CID 120569626
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
CID 28789368
4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 122137368
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
The IUPAC name of (4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one (CID 119634263) is (4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for (4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
The canonical SMILES for (4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one is NCC1CCCN1C(=O)[C@@H]1CSC(=O)N1.
What is the InChIKey of (4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
The InChIKey is NPGXDTBYESRDTE-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-4-6-2-1-3-12(6)8(13)7-5-15-9(14)11-7/h6-7H,1-5,10H2,(H,11,14)/t6?,7-/m0/s1.
What are the key properties of (4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one has a molecular weight of 229.30 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 119634263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).