2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C8H10ClNOS — CID 82706025

IUPAC2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCONC1CCc2sc(Cl)cc21
InChIInChI=1S/C8H10ClNOS/c1-11-10-6-2-3-7-5(6)4-8(9)12-7/h4,6,10H,2-3H2,1H3
InChIKeyPBGCGHRHYSWONS-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.54
Rot. Bonds2

About 2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 82706025) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID82706025
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCONC1CCc2sc(Cl)cc21
InChIInChI=1S/C8H10ClNOS/c1-11-10-6-2-3-7-5(6)4-8(9)12-7/h4,6,10H,2-3H2,1H3
InChIKeyPBGCGHRHYSWONS-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 82706025) is 2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CONC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is PBGCGHRHYSWONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-11-10-6-2-3-7-5(6)4-8(9)12-7/h4,6,10H,2-3H2,1H3.
What are the key properties of 2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 203.69 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 82706025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).