2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine

C10H15NS — CID 155389266

IUPAC2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
SMILESCC(C)c1sc2c(c1N)CCC2
InChIInChI=1S/C10H15NS/c1-6(2)10-9(11)7-4-3-5-8(7)12-10/h6H,3-5,11H2,1-2H3
InChIKeyPWDXLCDFVGVQOH-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.94
Rot. Bonds1

About 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine

2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine (PubChem CID 155389266) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine.

Molecular Properties

Compound Name2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
PubChem CID155389266
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine
SMILESCC(C)c1sc2c(c1N)CCC2
InChIInChI=1S/C10H15NS/c1-6(2)10-9(11)7-4-3-5-8(7)12-10/h6H,3-5,11H2,1-2H3
InChIKeyPWDXLCDFVGVQOH-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The IUPAC name of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine (CID 155389266) is 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine.
What is the SMILES notation for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The canonical SMILES for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine is CC(C)c1sc2c(c1N)CCC2.
What is the InChIKey of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
The InChIKey is PWDXLCDFVGVQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-6(2)10-9(11)7-4-3-5-8(7)12-10/h6H,3-5,11H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine?
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine has a molecular weight of 181.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-amine is sourced from PubChem (CID 155389266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).