(2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol

C11H17NOS2 — CID 6932305

IUPAC(2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESO[C@@H](CSc1cccs1)CN1CCCC1
InChIInChI=1S/C11H17NOS2/c13-10(8-12-5-1-2-6-12)9-15-11-4-3-7-14-11/h3-4,7,10,13H,1-2,5-6,8-9H2/t10-/m1/s1
InChIKeyIRUHWTMTUBNYIU-SNVBAGLBSA-N
MW243.40 g/mol
LogP2.30
Rot. Bonds5

About (2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol

(2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol (PubChem CID 6932305) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is (2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol
PubChem CID6932305
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC Name(2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESO[C@@H](CSc1cccs1)CN1CCCC1
InChIInChI=1S/C11H17NOS2/c13-10(8-12-5-1-2-6-12)9-15-11-4-3-7-14-11/h3-4,7,10,13H,1-2,5-6,8-9H2/t10-/m1/s1
InChIKeyIRUHWTMTUBNYIU-SNVBAGLBSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol?
The IUPAC name of (2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol (CID 6932305) is (2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol is O[C@@H](CSc1cccs1)CN1CCCC1.
What is the InChIKey of (2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol?
The InChIKey is IRUHWTMTUBNYIU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NOS2/c13-10(8-12-5-1-2-6-12)9-15-11-4-3-7-14-11/h3-4,7,10,13H,1-2,5-6,8-9H2/t10-/m1/s1.
What are the key properties of (2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol?
(2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol has a molecular weight of 243.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-pyrrolidin-1-yl-3-thiophen-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 6932305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).