3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one

C13H23N3O3S — CID 66053351

IUPAC3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)CCN1CCSC1=O
InChIInChI=1S/C13H23N3O3S/c1-14(2)8-10-7-11(17)9-16(10)12(18)3-4-15-5-6-20-13(15)19/h10-11,17H,3-9H2,1-2H3
InChIKeyMWKIXTFRZFYBCI-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.07
Rot. Bonds5

About 3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one

3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (PubChem CID 66053351) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
PubChem CID66053351
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)CCN1CCSC1=O
InChIInChI=1S/C13H23N3O3S/c1-14(2)8-10-7-11(17)9-16(10)12(18)3-4-15-5-6-20-13(15)19/h10-11,17H,3-9H2,1-2H3
InChIKeyMWKIXTFRZFYBCI-UHFFFAOYSA-N
XLogP0.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentan-1-one
CID 66056594
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pent-4-en-1-one
CID 66051985
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropanenitrile
CID 66054659
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 66052384
7-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]heptan-1-one
CID 66055629
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66051208
3-[3-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 94051371
N-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylacetamide
CID 66052971
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenylethanone
CID 66053160
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 66051988
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 66056195

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (CID 66053351) is 3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is CN(C)CC1CC(O)CN1C(=O)CCN1CCSC1=O.
What is the InChIKey of 3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The InChIKey is MWKIXTFRZFYBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-14(2)8-10-7-11(17)9-16(10)12(18)3-4-15-5-6-20-13(15)19/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one has a molecular weight of 301.41 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 66053351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).