N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C14H20N2S — CID 113487776

IUPACN-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESc1cc2c(nc1NCC1CCSCC1)CCC2
InChIInChI=1S/C14H20N2S/c1-2-12-4-5-14(16-13(12)3-1)15-10-11-6-8-17-9-7-11/h4-5,11H,1-3,6-10H2,(H,15,16)
InChIKeyDQSDARAKLFYCQX-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.13
Rot. Bonds3

About N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 113487776) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID113487776
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESc1cc2c(nc1NCC1CCSCC1)CCC2
InChIInChI=1S/C14H20N2S/c1-2-12-4-5-14(16-13(12)3-1)15-10-11-6-8-17-9-7-11/h4-5,11H,1-3,6-10H2,(H,15,16)
InChIKeyDQSDARAKLFYCQX-UHFFFAOYSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 113487776) is N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is c1cc2c(nc1NCC1CCSCC1)CCC2.
What is the InChIKey of N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is DQSDARAKLFYCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-12-4-5-14(16-13(12)3-1)15-10-11-6-8-17-9-7-11/h4-5,11H,1-3,6-10H2,(H,15,16).
What are the key properties of N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 113487776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).