(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine

C11H17NS — CID 124500963

IUPAC(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
SMILESCC(C)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C11H17NS/c1-9(2)12-6-3-4-11(12)10-5-7-13-8-10/h5,7-9,11H,3-4,6H2,1-2H3/t11-/m1/s1
InChIKeyNYQDKIIQKKZFRI-LLVKDONJSA-N
MW195.33 g/mol
LogP3.29
Rot. Bonds2

About (2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine

(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine (PubChem CID 124500963) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
PubChem CID124500963
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
SMILESCC(C)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C11H17NS/c1-9(2)12-6-3-4-11(12)10-5-7-13-8-10/h5,7-9,11H,3-4,6H2,1-2H3/t11-/m1/s1
InChIKeyNYQDKIIQKKZFRI-LLVKDONJSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124860071
2-(4-cyclopropylphenyl)-1-propan-2-ylpyrrolidine
CID 167249235
2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine
CID 71120044
(2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94452171
(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032737
(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 94032736
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide
CID 47055900
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)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124838853
2-[(1S)-1-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 137048409

Frequently Asked Questions

What is the IUPAC name of (2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine?
The IUPAC name of (2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine (CID 124500963) is (2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine.
What is the SMILES notation for (2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine?
The canonical SMILES for (2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine is CC(C)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of (2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine?
The InChIKey is NYQDKIIQKKZFRI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NS/c1-9(2)12-6-3-4-11(12)10-5-7-13-8-10/h5,7-9,11H,3-4,6H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine?
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine has a molecular weight of 195.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine is sourced from PubChem (CID 124500963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).