cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine

C11H16N2S — CID 11962950

IUPACcis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](CSc2ccccn2)C1
InChIInChI=1S/C11H16N2S/c12-10-5-4-9(7-10)8-14-11-3-1-2-6-13-11/h1-3,6,9-10H,4-5,7-8,12H2/t9-,10+/m1/s1
InChIKeyXSFWUQFGKNWBTI-ZJUUUORDSA-N
MW208.33 g/mol
LogP2.30
Rot. Bonds3

About cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine

cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine (PubChem CID 11962950) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine
PubChem CID11962950
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Namecis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine
SMILESN[C@H]1CC[C@@H](CSc2ccccn2)C1
InChIInChI=1S/C11H16N2S/c12-10-5-4-9(7-10)8-14-11-3-1-2-6-13-11/h1-3,6,9-10H,4-5,7-8,12H2/t9-,10+/m1/s1
InChIKeyXSFWUQFGKNWBTI-ZJUUUORDSA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine (CID 11962950) is cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine is N[C@H]1CC[C@@H](CSc2ccccn2)C1.
What is the InChIKey of cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine?
The InChIKey is XSFWUQFGKNWBTI-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H16N2S/c12-10-5-4-9(7-10)8-14-11-3-1-2-6-13-11/h1-3,6,9-10H,4-5,7-8,12H2/t9-,10+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine?
cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine has a molecular weight of 208.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(pyridin-2-ylsulfanylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 11962950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).