3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol

C16H19NO2S — CID 77082470

IUPAC3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2ccc(-c3ccccc3)s2)C1
InChIInChI=1S/C16H19NO2S/c18-12-16(19)8-9-17(11-16)10-14-6-7-15(20-14)13-4-2-1-3-5-13/h1-7,18-19H,8-12H2
InChIKeyLXDOULBRZHUFGK-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.34
Rot. Bonds4

About 3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol

3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 77082470) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol
PubChem CID77082470
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2ccc(-c3ccccc3)s2)C1
InChIInChI=1S/C16H19NO2S/c18-12-16(19)8-9-17(11-16)10-14-6-7-15(20-14)13-4-2-1-3-5-13/h1-7,18-19H,8-12H2
InChIKeyLXDOULBRZHUFGK-UHFFFAOYSA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120782200
4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol
CID 56755407
3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 130700479
(3aR,6aR)-2-(2-hydroxyethyl)-5-[(5-phenylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72839903
9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56912689
(1R,3S)-3-(2-aminoethoxy)-7-[(5-phenylthiophen-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 70771488
1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine
CID 22762532
2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042939
3-[(5-phenylthiophen-2-yl)methyl]-3-azabicyclo[3.2.1]octan-8-amine
CID 156609103
1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 130624025
4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid
CID 58256876
(3S)-3-(hydroxymethyl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 95713854

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol (CID 77082470) is 3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol is OCC1(O)CCN(Cc2ccc(-c3ccccc3)s2)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is LXDOULBRZHUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c18-12-16(19)8-9-17(11-16)10-14-6-7-15(20-14)13-4-2-1-3-5-13/h1-7,18-19H,8-12H2.
What are the key properties of 3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol?
3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 289.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 77082470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).