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

C7H8ClNS — CID 81252876

IUPAC2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESNC1CCc2sc(Cl)cc21
InChIInChI=1S/C7H8ClNS/c8-7-3-4-5(9)1-2-6(4)10-7/h3,5H,1-2,9H2
InChIKeyNFNYFBDVONTICE-UHFFFAOYSA-N
MW173.67 g/mol
LogP2.35
Rot. Bonds

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

2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252876) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is 2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252876
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESNC1CCc2sc(Cl)cc21
InChIInChI=1S/C7H8ClNS/c8-7-3-4-5(9)1-2-6(4)10-7/h3,5H,1-2,9H2
InChIKeyNFNYFBDVONTICE-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252876) is 2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is NC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is NFNYFBDVONTICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c8-7-3-4-5(9)1-2-6(4)10-7/h3,5H,1-2,9H2.
What are the key properties of 2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 173.67 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).