[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone

C11H15NO3S — CID 81122202

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)N2CCC[C@H]2CO)c1
InChIInChI=1S/C11H15NO3S/c1-15-9-5-10(16-7-9)11(14)12-4-2-3-8(12)6-13/h5,7-8,13H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyMKSQMBUVRVZUTA-QMMMGPOBSA-N
MW241.31 g/mol
LogP1.35
Rot. Bonds3

About [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone (PubChem CID 81122202) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
PubChem CID81122202
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)N2CCC[C@H]2CO)c1
InChIInChI=1S/C11H15NO3S/c1-15-9-5-10(16-7-9)11(14)12-4-2-3-8(12)6-13/h5,7-8,13H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyMKSQMBUVRVZUTA-QMMMGPOBSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloroethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81129656
(2-amino-5-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55138072
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115413023
(3,5-dimethoxy-4-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411271
(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 81118490
(3,5-dichloro-4-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030156
(2-amino-4,5-dimethoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210017
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 103720299
(4-methoxythiophen-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491500
(2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107023690
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70715141
(3-hydroxy-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79726071

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone (CID 81122202) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)N2CCC[C@H]2CO)c1.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
The InChIKey is MKSQMBUVRVZUTA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-15-9-5-10(16-7-9)11(14)12-4-2-3-8(12)6-13/h5,7-8,13H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone has a molecular weight of 241.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81122202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).