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

C14H20N2O2S — CID 115336720

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
SMILESCNC(C1CCS(=O)(=O)C1)C1CCc2cccnc21
InChIInChI=1S/C14H20N2O2S/c1-15-13(11-6-8-19(17,18)9-11)12-5-4-10-3-2-7-16-14(10)12/h2-3,7,11-13,15H,4-6,8-9H2,1H3
InChIKeyIKSKHQXXHRGQCM-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.13
Rot. Bonds3

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

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine (PubChem CID 115336720) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
PubChem CID115336720
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
SMILESCNC(C1CCS(=O)(=O)C1)C1CCc2cccnc21
InChIInChI=1S/C14H20N2O2S/c1-15-13(11-6-8-19(17,18)9-11)12-5-4-10-3-2-7-16-14(10)12/h2-3,7,11-13,15H,4-6,8-9H2,1H3
InChIKeyIKSKHQXXHRGQCM-UHFFFAOYSA-N
XLogP1.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine with MolForge

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 79740244
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
CID 105166112
N-methyl-1-(4-methylcyclohexyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748851
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105009602
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265828
[cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]hydrazine
CID 105255149
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone
CID 113289685
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-phenylethanamine
CID 79747873
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)-1-(thiolan-2-yl)methanamine
CID 80621797
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine
CID 79740041
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine (CID 115336720) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine is CNC(C1CCS(=O)(=O)C1)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
The InChIKey is IKSKHQXXHRGQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-15-13(11-6-8-19(17,18)9-11)12-5-4-10-3-2-7-16-14(10)12/h2-3,7,11-13,15H,4-6,8-9H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine has a molecular weight of 280.39 g/mol, XLogP of 1.13, 3 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)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 115336720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).