1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine

C16H24N2O2S — CID 105166112

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
SMILESCCNC(CC1CCS(=O)(=O)C1)C1CCc2cccnc21
InChIInChI=1S/C16H24N2O2S/c1-2-17-15(10-12-7-9-21(19,20)11-12)14-6-5-13-4-3-8-18-16(13)14/h3-4,8,12,14-15,17H,2,5-7,9-11H2,1H3
InChIKeyAZCQDSSGXDCUMT-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.91
Rot. Bonds5

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine (PubChem CID 105166112) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
PubChem CID105166112
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
SMILESCCNC(CC1CCS(=O)(=O)C1)C1CCc2cccnc21
InChIInChI=1S/C16H24N2O2S/c1-2-17-15(10-12-7-9-21(19,20)11-12)14-6-5-13-4-3-8-18-16(13)14/h3-4,8,12,14-15,17H,2,5-7,9-11H2,1H3
InChIKeyAZCQDSSGXDCUMT-UHFFFAOYSA-N
XLogP1.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine (CID 105166112) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine is CCNC(CC1CCS(=O)(=O)C1)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine?
The InChIKey is AZCQDSSGXDCUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-17-15(10-12-7-9-21(19,20)11-12)14-6-5-13-4-3-8-18-16(13)14/h3-4,8,12,14-15,17H,2,5-7,9-11H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine has a molecular weight of 308.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine is sourced from PubChem (CID 105166112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).