3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine

C13H18N2O2S — CID 115049588

IUPAC3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine
SMILESNC1Cc2cnc(C3CCCS(=O)(=O)C3)cc2C1
InChIInChI=1S/C13H18N2O2S/c14-12-4-10-6-13(15-7-11(10)5-12)9-2-1-3-18(16,17)8-9/h6-7,9,12H,1-5,8,14H2
InChIKeyLILDIWMHTHGDRP-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.80
Rot. Bonds1

About 3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine

3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine (PubChem CID 115049588) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine.

Molecular Properties

Compound Name3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine
PubChem CID115049588
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine
SMILESNC1Cc2cnc(C3CCCS(=O)(=O)C3)cc2C1
InChIInChI=1S/C13H18N2O2S/c14-12-4-10-6-13(15-7-11(10)5-12)9-2-1-3-18(16,17)8-9/h6-7,9,12H,1-5,8,14H2
InChIKeyLILDIWMHTHGDRP-UHFFFAOYSA-N
XLogP0.80
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine
CID 115017606
6-(1,1-dioxothian-3-yl)pyridazin-4-amine
CID 117105556
3-pyridazin-3-ylthiane 1,1-dioxide
CID 117105552
3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105014
2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 117157783
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115085576
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115090388
2-(1,1-dioxothian-3-yl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131698
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090326
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142556
3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117151466
3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117157782

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine?
The IUPAC name of 3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine (CID 115049588) is 3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine.
What is the SMILES notation for 3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine?
The canonical SMILES for 3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine is NC1Cc2cnc(C3CCCS(=O)(=O)C3)cc2C1.
What is the InChIKey of 3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine?
The InChIKey is LILDIWMHTHGDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-12-4-10-6-13(15-7-11(10)5-12)9-2-1-3-18(16,17)8-9/h6-7,9,12H,1-5,8,14H2.
What are the key properties of 3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine?
3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine has a molecular weight of 266.37 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine is sourced from PubChem (CID 115049588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).