(4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride

C9H14ClNOS — CID 75481497

IUPAC(4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1CNCC1c1ccsc1
InChIInChI=1S/C9H13NOS.ClH/c11-5-8-3-10-4-9(8)7-1-2-12-6-7;/h1-2,6,8-11H,3-5H2;1H
InChIKeyUQLVKSZJIMTXGK-UHFFFAOYSA-N
MW219.74 g/mol
LogP1.47
Rot. Bonds2

About (4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride

(4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride (PubChem CID 75481497) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is (4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride
PubChem CID75481497
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name(4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1CNCC1c1ccsc1
InChIInChI=1S/C9H13NOS.ClH/c11-5-8-3-10-4-9(8)7-1-2-12-6-7;/h1-2,6,8-11H,3-5H2;1H
InChIKeyUQLVKSZJIMTXGK-UHFFFAOYSA-N
XLogP1.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-methyl-4-thiophen-3-ylpyrrolidine
CID 142082673
(3R,4S)-4-thiophen-3-ylpyrrolidine-3-carboxylic acid
CID 56971991
[(3S,4S)-4-(4-bromophenyl)pyrrolidin-3-yl]methanol
CID 129408301
[(3S,4R)-4-(4-bromophenyl)pyrrolidin-3-yl]methanol
CID 129375178
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 122163804
[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 25220548
[(3S,4R)-4-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 129009069
[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 86767710
3-[(1R,2R)-2-(chloromethyl)cyclopropyl]thiophene
CID 67942354
[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanamine
CID 94556777
(2R)-2-thiophen-3-ylaziridine
CID 172991225
2-thiophen-3-ylcyclobutan-1-amine
CID 81014697

Frequently Asked Questions

What is the IUPAC name of (4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride?
The IUPAC name of (4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride (CID 75481497) is (4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride.
What is the SMILES notation for (4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride?
The canonical SMILES for (4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride is Cl.OCC1CNCC1c1ccsc1.
What is the InChIKey of (4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride?
The InChIKey is UQLVKSZJIMTXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.ClH/c11-5-8-3-10-4-9(8)7-1-2-12-6-7;/h1-2,6,8-11H,3-5H2;1H.
What are the key properties of (4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride?
(4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiophen-3-ylpyrrolidin-3-yl)methanol;hydrochloride is sourced from PubChem (CID 75481497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).