2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C12H18ClNOS — CID 81252708

IUPAC2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCCC(COC)NC1CCc2sc(Cl)cc21
InChIInChI=1S/C12H18ClNOS/c1-3-8(7-15-2)14-10-4-5-11-9(10)6-12(13)16-11/h6,8,10,14H,3-5,7H2,1-2H3
InChIKeyHBXHLUQGIOFHCL-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.40
Rot. Bonds5

About 2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252708) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252708
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC Name2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCCC(COC)NC1CCc2sc(Cl)cc21
InChIInChI=1S/C12H18ClNOS/c1-3-8(7-15-2)14-10-4-5-11-9(10)6-12(13)16-11/h6,8,10,14H,3-5,7H2,1-2H3
InChIKeyHBXHLUQGIOFHCL-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252708) is 2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CCC(COC)NC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is HBXHLUQGIOFHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-3-8(7-15-2)14-10-4-5-11-9(10)6-12(13)16-11/h6,8,10,14H,3-5,7H2,1-2H3.
What are the key properties of 2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 259.80 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).