[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

C10H13NO2S — CID 66262221

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@H]1CO
InChIInChI=1S/C10H13NO2S/c12-6-9-2-1-4-11(9)10(13)8-3-5-14-7-8/h3,5,7,9,12H,1-2,4,6H2/t9-/m0/s1
InChIKeyNZJRSEAGTOQBQG-VIFPVBQESA-N
MW211.29 g/mol
LogP1.35
Rot. Bonds2

About [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 66262221) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID66262221
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@H]1CO
InChIInChI=1S/C10H13NO2S/c12-6-9-2-1-4-11(9)10(13)8-3-5-14-7-8/h3,5,7,9,12H,1-2,4,6H2/t9-/m0/s1
InChIKeyNZJRSEAGTOQBQG-VIFPVBQESA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 118738435
[2-(Hydroxymethyl)-2-methyl-1-pyrrolidinyl](3-thienyl)methanone
CID 86771532
[2-(Hydroxymethyl)-2-propyl-1-pyrrolidinyl](3-thienyl)methanone
CID 86771538
[2-Cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl](3-thienyl)methanone
CID 91921854
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 103857473
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 107482828
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 126785983
N-[1-(hydroxymethyl)propyl]-N-(3-thienylmethyl)thiophene-3-carboxamide
CID 46993383
(3-(Hydroxymethyl)morpholino)(thiophen-3-yl)methanone
CID 71785831
(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone
CID 71795911
methyl (2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 11402187
1-(3-Thienylcarbonyl)-L-proline
CID 30048572

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 66262221) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is NZJRSEAGTOQBQG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2S/c12-6-9-2-1-4-11(9)10(13)8-3-5-14-7-8/h3,5,7,9,12H,1-2,4,6H2/t9-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 211.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 66262221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).