cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine

C10H13ClFNS — CID 130685133

IUPACcis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
SMILESF[C@@H]1CCC[C@@H]1NCc1ccsc1Cl
InChIInChI=1S/C10H13ClFNS/c11-10-7(4-5-14-10)6-13-9-3-1-2-8(9)12/h4-5,8-9,13H,1-3,6H2/t8-,9+/m1/s1
InChIKeyQSXUIJNLPHFZGS-BDAKNGLRSA-N
MW233.74 g/mol
LogP3.38
Rot. Bonds3

About cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine

cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine (PubChem CID 130685133) has the molecular formula C10H13ClFNS and a molecular weight of 233.74 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
PubChem CID130685133
Molecular FormulaC10H13ClFNS
Molecular Weight233.74 g/mol
Exact Mass233.04
IUPAC Namecis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine
SMILESF[C@@H]1CCC[C@@H]1NCc1ccsc1Cl
InChIInChI=1S/C10H13ClFNS/c11-10-7(4-5-14-10)6-13-9-3-1-2-8(9)12/h4-5,8-9,13H,1-3,6H2/t8-,9+/m1/s1
InChIKeyQSXUIJNLPHFZGS-BDAKNGLRSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine (CID 130685133) is cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine is F[C@@H]1CCC[C@@H]1NCc1ccsc1Cl.
What is the InChIKey of cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine?
The InChIKey is QSXUIJNLPHFZGS-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H13ClFNS/c11-10-7(4-5-14-10)6-13-9-3-1-2-8(9)12/h4-5,8-9,13H,1-3,6H2/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine?
cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine has a molecular weight of 233.74 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(2-chlorothiophen-3-yl)methyl]-2-fluorocyclopentan-1-amine is sourced from PubChem (CID 130685133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).