[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine

C9H13N3O2S — CID 134828335

IUPAC[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C9H13N3O2S/c10-7-8-2-3-11-9(6-8)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,7,10H2
InChIKeyAALRJXWQQDPBIN-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.08
Rot. Bonds2

About [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine

[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine (PubChem CID 134828335) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine
PubChem CID134828335
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C9H13N3O2S/c10-7-8-2-3-11-9(6-8)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,7,10H2
InChIKeyAALRJXWQQDPBIN-UHFFFAOYSA-N
XLogP0.08
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[2-(1,1-dioxothiazinan-2-yl)-4-pyridinyl]prop-2-enoic acid
CID 102822206
[2-(4,4-dimethylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 62937884
[2-(4,4-diethylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 63156183
4-[4-(aminomethyl)-2-pyridinyl]-3-methylpiperazin-2-one
CID 63595218
2-[(4-chloro-2-pyridinyl)methyl]-1,2-thiazolidine 1,1-dioxide
CID 79255737
[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 103530760
[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanamine
CID 24702103
[2-[4-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methanamine
CID 63971086
(2-ethyl-4-pyridinyl)methanamine;hydrochloride
CID 138109972
4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine
CID 63061752
2-[4-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine
CID 82513963
2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide
CID 67312123

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine (CID 134828335) is [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine is NCc1ccnc(N2CCCS2(=O)=O)c1.
What is the InChIKey of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine?
The InChIKey is AALRJXWQQDPBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-7-8-2-3-11-9(6-8)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5,7,10H2.
What are the key properties of [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine?
[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine has a molecular weight of 227.29 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 134828335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).