N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C16H19NOS — CID 115466418

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NCc1cc2c(s1)CCC2
InChIInChI=1S/C16H19NOS/c1-3-11-9-12(19-16(11)6-1)10-17-14-4-2-5-15-13(14)7-8-18-15/h7-9,14,17H,1-6,10H2
InChIKeyGAPCBRVMUQPUFF-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.00
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466418) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466418
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1cc2c(o1)CCCC2NCc1cc2c(s1)CCC2
InChIInChI=1S/C16H19NOS/c1-3-11-9-12(19-16(11)6-1)10-17-14-4-2-5-15-13(14)7-8-18-15/h7-9,14,17H,1-6,10H2
InChIKeyGAPCBRVMUQPUFF-UHFFFAOYSA-N
XLogP4.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.00
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)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466418) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1cc2c(o1)CCCC2NCc1cc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is GAPCBRVMUQPUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-11-9-12(19-16(11)6-1)10-17-14-4-2-5-15-13(14)7-8-18-15/h7-9,14,17H,1-6,10H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 273.40 g/mol, XLogP of 4.00, 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)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).