[(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol

C10H15NOS — CID 102244531

IUPAC[(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol
SMILESCN1[C@H](CO)CC[C@@H]1c1cccs1
InChIInChI=1S/C10H15NOS/c1-11-8(7-12)4-5-9(11)10-3-2-6-13-10/h2-3,6,8-9,12H,4-5,7H2,1H3/t8-,9+/m0/s1
InChIKeyUZSIAMIDUGPZPF-DTWKUNHWSA-N
MW197.30 g/mol
LogP1.88
Rot. Bonds2

About [(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol

[(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol (PubChem CID 102244531) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is [(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol
PubChem CID102244531
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name[(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol
SMILESCN1[C@H](CO)CC[C@@H]1c1cccs1
InChIInChI=1S/C10H15NOS/c1-11-8(7-12)4-5-9(11)10-3-2-6-13-10/h2-3,6,8-9,12H,4-5,7H2,1H3/t8-,9+/m0/s1
InChIKeyUZSIAMIDUGPZPF-DTWKUNHWSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 62039896
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312
2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 163475702
2-amino-3-methoxy-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120984461
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94871156
(7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
CID 136837739
(2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738303
(2S,3S)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738302
2-methyl-6-thiophen-2-ylpiperidin-3-amine
CID 165483665

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol (CID 102244531) is [(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol is CN1[C@H](CO)CC[C@@H]1c1cccs1.
What is the InChIKey of [(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol?
The InChIKey is UZSIAMIDUGPZPF-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H15NOS/c1-11-8(7-12)4-5-9(11)10-3-2-6-13-10/h2-3,6,8-9,12H,4-5,7H2,1H3/t8-,9+/m0/s1.
What are the key properties of [(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol?
[(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol has a molecular weight of 197.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-1-methyl-5-thiophen-2-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102244531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).