3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine

C12H19N3O2S — CID 61350746

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESO=S1(=O)CCCN1CCCNCc1cccnc1
InChIInChI=1S/C12H19N3O2S/c16-18(17)9-3-8-15(18)7-2-6-14-11-12-4-1-5-13-10-12/h1,4-5,10,14H,2-3,6-9,11H2
InChIKeyKDSOUDQNYFVFKU-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.60
Rot. Bonds6

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 61350746) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID61350746
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESO=S1(=O)CCCN1CCCNCc1cccnc1
InChIInChI=1S/C12H19N3O2S/c16-18(17)9-3-8-15(18)7-2-6-14-11-12-4-1-5-13-10-12/h1,4-5,10,14H,2-3,6-9,11H2
InChIKeyKDSOUDQNYFVFKU-UHFFFAOYSA-N
XLogP0.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl]-1-methylimidazo[4,5-c]pyridin-2-amine
CID 167913436
3,3-dimethyl-1-[3-(pyridin-3-ylmethylamino)propyl]pyrrolidine-2,5-dione
CID 65297533
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
CID 114959317
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961065
3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine;oxalic acid
CID 17052847
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine (CID 61350746) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine is O=S1(=O)CCCN1CCCNCc1cccnc1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is KDSOUDQNYFVFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c16-18(17)9-3-8-15(18)7-2-6-14-11-12-4-1-5-13-10-12/h1,4-5,10,14H,2-3,6-9,11H2.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 269.37 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 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-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 61350746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).