3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

C11H21N3O3S — CID 119512599

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESO=C(CCN1CCCS1(=O)=O)NCC1CCCN1
InChIInChI=1S/C11H21N3O3S/c15-11(13-9-10-3-1-5-12-10)4-7-14-6-2-8-18(14,16)17/h10,12H,1-9H2,(H,13,15)
InChIKeyAKIWTZURJHKVCQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.72
Rot. Bonds5

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119512599) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119512599
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESO=C(CCN1CCCS1(=O)=O)NCC1CCCN1
InChIInChI=1S/C11H21N3O3S/c15-11(13-9-10-3-1-5-12-10)4-7-14-6-2-8-18(14,16)17/h10,12H,1-9H2,(H,13,15)
InChIKeyAKIWTZURJHKVCQ-UHFFFAOYSA-N
XLogP-0.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459993
2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 122562256
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119509840
N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
CID 79152562
3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579124
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)acetamide
CID 112701289
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540759
N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide
CID 119514736

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119512599) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is O=C(CCN1CCCS1(=O)=O)NCC1CCCN1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is AKIWTZURJHKVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c15-11(13-9-10-3-1-5-12-10)4-7-14-6-2-8-18(14,16)17/h10,12H,1-9H2,(H,13,15).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 275.37 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119512599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).