1-(thiophen-3-ylmethyl)pyrrolidin-3-ol

C9H13NOS — CID 62916311

IUPAC1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
SMILESOC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C9H13NOS/c11-9-1-3-10(6-9)5-8-2-4-12-7-8/h2,4,7,9,11H,1,3,5-6H2
InChIKeyBHMHVXFXSKDSGO-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.31
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)pyrrolidin-3-ol

1-(thiophen-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 62916311) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
PubChem CID62916311
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
SMILESOC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C9H13NOS/c11-9-1-3-10(6-9)5-8-2-4-12-7-8/h2,4,7,9,11H,1,3,5-6H2
InChIKeyBHMHVXFXSKDSGO-UHFFFAOYSA-N
XLogP1.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813
3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62068989
(3S,5R)-5-methyl-1-(thiophen-3-ylmethyl)piperidin-3-ol
CID 131084735
2-[(3S)-3-hydroxypiperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 94382593
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 95869700
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
1-[[4-methyl-5-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70751821
1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol
CID 130511552

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(thiophen-3-ylmethyl)pyrrolidin-3-ol (CID 62916311) is 1-(thiophen-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(thiophen-3-ylmethyl)pyrrolidin-3-ol is OC1CCN(Cc2ccsc2)C1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is BHMHVXFXSKDSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c11-9-1-3-10(6-9)5-8-2-4-12-7-8/h2,4,7,9,11H,1,3,5-6H2.
What are the key properties of 1-(thiophen-3-ylmethyl)pyrrolidin-3-ol?
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 183.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 62916311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).