trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine

C11H15NS — CID 101053357

IUPACtrans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine
SMILESN[C@@H]1CCC[C@H]1Sc1ccccc1
InChIInChI=1S/C11H15NS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2/t10-,11-/m1/s1
InChIKeySPZIRHDYMPYTER-GHMZBOCLSA-N
MW193.32 g/mol
LogP2.66
Rot. Bonds2

About trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine

trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine (PubChem CID 101053357) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine
PubChem CID101053357
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Nametrans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine
SMILESN[C@@H]1CCC[C@H]1Sc1ccccc1
InChIInChI=1S/C11H15NS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2/t10-,11-/m1/s1
InChIKeySPZIRHDYMPYTER-GHMZBOCLSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine (CID 101053357) is trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine is N[C@@H]1CCC[C@H]1Sc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine?
The InChIKey is SPZIRHDYMPYTER-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H15NS/c12-10-7-4-8-11(10)13-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine?
trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine has a molecular weight of 193.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-phenylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 101053357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).