(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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Related Compounds

N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087259
N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087258
(2R)-1-benzyl-2-thiophen-3-ylpiperidine
CID 124500980
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 47053590
2-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 47035108
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
CID 124500963
3,4-dimethyl-5-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 94138790
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine
CID 51119626
5,5-dicyclopropyl-3-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 95567423
1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol
CID 47053600

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).