(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine

C15H23NS — CID 51946772

IUPAC(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine
SMILESc1cc([C@H]2CCCN2CC2CCCCC2)cs1
InChIInChI=1S/C15H23NS/c1-2-5-13(6-3-1)11-16-9-4-7-15(16)14-8-10-17-12-14/h8,10,12-13,15H,1-7,9,11H2/t15-/m1/s1
InChIKeyVBCQOFHOTDTCSP-OAHLLOKOSA-N
MW249.42 g/mol
LogP4.47
Rot. Bonds3

About (2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine

(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine (PubChem CID 51946772) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is (2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine
PubChem CID51946772
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine
SMILESc1cc([C@H]2CCCN2CC2CCCCC2)cs1
InChIInChI=1S/C15H23NS/c1-2-5-13(6-3-1)11-16-9-4-7-15(16)14-8-10-17-12-14/h8,10,12-13,15H,1-7,9,11H2/t15-/m1/s1
InChIKeyVBCQOFHOTDTCSP-OAHLLOKOSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine?
The IUPAC name of (2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine (CID 51946772) is (2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine.
What is the SMILES notation for (2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine?
The canonical SMILES for (2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine is c1cc([C@H]2CCCN2CC2CCCCC2)cs1.
What is the InChIKey of (2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine?
The InChIKey is VBCQOFHOTDTCSP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23NS/c1-2-5-13(6-3-1)11-16-9-4-7-15(16)14-8-10-17-12-14/h8,10,12-13,15H,1-7,9,11H2/t15-/m1/s1.
What are the key properties of (2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine?
(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine has a molecular weight of 249.42 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine is sourced from PubChem (CID 51946772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).