[(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol

C9H13NOS — CID 23383856

IUPAC[(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESOC[C@H]1CNC[C@@H]1c1ccsc1
InChIInChI=1S/C9H13NOS/c11-5-8-3-10-4-9(8)7-1-2-12-6-7/h1-2,6,8-11H,3-5H2/t8-,9-/m1/s1
InChIKeySWXORFHOLPJLTG-RKDXNWHRSA-N
MW183.28 g/mol
LogP1.04
Rot. Bonds2

About [(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol

[(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol (PubChem CID 23383856) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is [(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol
PubChem CID23383856
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name[(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol
SMILESOC[C@H]1CNC[C@@H]1c1ccsc1
InChIInChI=1S/C9H13NOS/c11-5-8-3-10-4-9(8)7-1-2-12-6-7/h1-2,6,8-11H,3-5H2/t8-,9-/m1/s1
InChIKeySWXORFHOLPJLTG-RKDXNWHRSA-N
XLogP1.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol (CID 23383856) is [(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol is OC[C@H]1CNC[C@@H]1c1ccsc1.
What is the InChIKey of [(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
The InChIKey is SWXORFHOLPJLTG-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H13NOS/c11-5-8-3-10-4-9(8)7-1-2-12-6-7/h1-2,6,8-11H,3-5H2/t8-,9-/m1/s1.
What are the key properties of [(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol?
[(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol has a molecular weight of 183.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-thiophen-3-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 23383856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).