2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C11H14BrNS — CID 130572660

IUPAC2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC1CC1NC1CCc2sc(Br)cc21
InChIInChI=1S/C11H14BrNS/c1-6-4-9(6)13-8-2-3-10-7(8)5-11(12)14-10/h5-6,8-9,13H,2-4H2,1H3
InChIKeyURIPQCMNSJFUCK-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.50
Rot. Bonds2

About 2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 130572660) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID130572660
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC1CC1NC1CCc2sc(Br)cc21
InChIInChI=1S/C11H14BrNS/c1-6-4-9(6)13-8-2-3-10-7(8)5-11(12)14-10/h5-6,8-9,13H,2-4H2,1H3
InChIKeyURIPQCMNSJFUCK-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 130572660) is 2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CC1CC1NC1CCc2sc(Br)cc21.
What is the InChIKey of 2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is URIPQCMNSJFUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c1-6-4-9(6)13-8-2-3-10-7(8)5-11(12)14-10/h5-6,8-9,13H,2-4H2,1H3.
What are the key properties of 2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 272.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylcyclopropyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 130572660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).