3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine

C16H26N4O3S — CID 128567952

IUPAC3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1OC1CCN(CCN2CCCS2(=O)=O)C1
InChIInChI=1S/C16H26N4O3S/c1-18(2)16-15(5-3-7-17-16)23-14-6-9-19(13-14)10-11-20-8-4-12-24(20,21)22/h3,5,7,14H,4,6,8-13H2,1-2H3
InChIKeyUWUNSPZUKHECPF-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.64
Rot. Bonds6

About 3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine

3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine (PubChem CID 128567952) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine
PubChem CID128567952
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1OC1CCN(CCN2CCCS2(=O)=O)C1
InChIInChI=1S/C16H26N4O3S/c1-18(2)16-15(5-3-7-17-16)23-14-6-9-19(13-14)10-11-20-8-4-12-24(20,21)22/h3,5,7,14H,4,6,8-13H2,1-2H3
InChIKeyUWUNSPZUKHECPF-UHFFFAOYSA-N
XLogP0.64
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine (CID 128567952) is 3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine is CN(C)c1ncccc1OC1CCN(CCN2CCCS2(=O)=O)C1.
What is the InChIKey of 3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine?
The InChIKey is UWUNSPZUKHECPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-18(2)16-15(5-3-7-17-16)23-14-6-9-19(13-14)10-11-20-8-4-12-24(20,21)22/h3,5,7,14H,4,6,8-13H2,1-2H3.
What are the key properties of 3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine?
3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine has a molecular weight of 354.48 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 128567952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).