5-(1,1-dioxothiolan-3-yl)pyridin-3-amine

C9H12N2O2S — CID 115027948

IUPAC5-(1,1-dioxothiolan-3-yl)pyridin-3-amine
SMILESNc1cncc(C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C9H12N2O2S/c10-9-3-8(4-11-5-9)7-1-2-14(12,13)6-7/h3-5,7H,1-2,6,10H2
InChIKeyIZCGPQWMFLGQIY-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.57
Rot. Bonds1

About 5-(1,1-dioxothiolan-3-yl)pyridin-3-amine

5-(1,1-dioxothiolan-3-yl)pyridin-3-amine (PubChem CID 115027948) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-(1,1-dioxothiolan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-(1,1-dioxothiolan-3-yl)pyridin-3-amine
PubChem CID115027948
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name5-(1,1-dioxothiolan-3-yl)pyridin-3-amine
SMILESNc1cncc(C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C9H12N2O2S/c10-9-3-8(4-11-5-9)7-1-2-14(12,13)6-7/h3-5,7H,1-2,6,10H2
InChIKeyIZCGPQWMFLGQIY-UHFFFAOYSA-N
XLogP0.57
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,1-dioxothiolan-3-yl)pyridine-3-carbonitrile
CID 115033315
3-(5-isocyanato-3-pyridinyl)thiolane 1,1-dioxide
CID 115042504
5-cyclobutylpyridin-3-amine
CID 66520451
5-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3,5-diamine
CID 104534161
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143756
6-(1,1-dioxothian-3-yl)pyridazin-4-amine
CID 117105556
5-(1-methylpiperidin-3-yl)pyridin-3-amine
CID 115018770
4-(5-amino-3-pyridinyl)piperidine-1-carboxylic acid
CID 69115418
3-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 117103385
3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336168
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133515
3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105014

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiolan-3-yl)pyridin-3-amine?
The IUPAC name of 5-(1,1-dioxothiolan-3-yl)pyridin-3-amine (CID 115027948) is 5-(1,1-dioxothiolan-3-yl)pyridin-3-amine.
What is the SMILES notation for 5-(1,1-dioxothiolan-3-yl)pyridin-3-amine?
The canonical SMILES for 5-(1,1-dioxothiolan-3-yl)pyridin-3-amine is Nc1cncc(C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 5-(1,1-dioxothiolan-3-yl)pyridin-3-amine?
The InChIKey is IZCGPQWMFLGQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-9-3-8(4-11-5-9)7-1-2-14(12,13)6-7/h3-5,7H,1-2,6,10H2.
What are the key properties of 5-(1,1-dioxothiolan-3-yl)pyridin-3-amine?
5-(1,1-dioxothiolan-3-yl)pyridin-3-amine has a molecular weight of 212.27 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiolan-3-yl)pyridin-3-amine is sourced from PubChem (CID 115027948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).