N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C17H19NOS — CID 61209134

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCc1cc2c(s1)CCC2
InChIInChI=1S/C17H19NOS/c1-2-6-16-14(5-1)15(8-9-19-16)18-11-13-10-12-4-3-7-17(12)20-13/h1-2,5-6,10,15,18H,3-4,7-9,11H2
InChIKeyILIJZTBGNQZLCD-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.85
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 61209134) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID61209134
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCc1cc2c(s1)CCC2
InChIInChI=1S/C17H19NOS/c1-2-6-16-14(5-1)15(8-9-19-16)18-11-13-10-12-4-3-7-17(12)20-13/h1-2,5-6,10,15,18H,3-4,7-9,11H2
InChIKeyILIJZTBGNQZLCD-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 61209134) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is c1ccc2c(c1)OCCC2NCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ILIJZTBGNQZLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-6-16-14(5-1)15(8-9-19-16)18-11-13-10-12-4-3-7-17(12)20-13/h1-2,5-6,10,15,18H,3-4,7-9,11H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 61209134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).