[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone

C10H13NO2S — CID 130949994

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@H](O)C2)cs1
InChIInChI=1S/C10H13NO2S/c1-7-4-8(6-14-7)10(13)11-3-2-9(12)5-11/h4,6,9,12H,2-3,5H2,1H3/t9-/m0/s1
InChIKeyDMZVZKDQJJAOBV-VIFPVBQESA-N
MW211.29 g/mol
LogP1.26
Rot. Bonds1

About [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone (PubChem CID 130949994) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
PubChem CID130949994
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@H](O)C2)cs1
InChIInChI=1S/C10H13NO2S/c1-7-4-8(6-14-7)10(13)11-3-2-9(12)5-11/h4,6,9,12H,2-3,5H2,1H3/t9-/m0/s1
InChIKeyDMZVZKDQJJAOBV-VIFPVBQESA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone
CID 130877497
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
(3-hydroxypyrrolidin-1-yl)-(3-methyl-5-nitrophenyl)methanone
CID 113396275
(5-bromofuran-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561602
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496
6-hydroxy-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66260859
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methyl-4-propan-2-ylphenyl)methanone
CID 58969991
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 143518855

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone (CID 130949994) is [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)N2CC[C@H](O)C2)cs1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is DMZVZKDQJJAOBV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-4-8(6-14-7)10(13)11-3-2-9(12)5-11/h4,6,9,12H,2-3,5H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 211.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 130949994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).