1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone

C12H15N5O2S — CID 66260722

IUPAC1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccsc2)n1)N1CCC[C@H]1CO
InChIInChI=1S/C12H15N5O2S/c18-7-10-2-1-4-16(10)11(19)6-17-14-12(13-15-17)9-3-5-20-8-9/h3,5,8,10,18H,1-2,4,6-7H2/t10-/m0/s1
InChIKeySGJJHMYBFITKMR-JTQLQIEISA-N
MW293.35 g/mol
LogP0.38
Rot. Bonds4

About 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone

1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone (PubChem CID 66260722) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
PubChem CID66260722
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccsc2)n1)N1CCC[C@H]1CO
InChIInChI=1S/C12H15N5O2S/c18-7-10-2-1-4-16(10)11(19)6-17-14-12(13-15-17)9-3-5-20-8-9/h3,5,8,10,18H,1-2,4,6-7H2/t10-/m0/s1
InChIKeySGJJHMYBFITKMR-JTQLQIEISA-N
XLogP0.38
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 103774248
2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134813305
1-[(2S)-2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 92578282
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 46806674
1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
CID 9128283
N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128184
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
CID 9128029
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 11936841
N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 79028955
(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119370606
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128230
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 17475815

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone?
The IUPAC name of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone (CID 66260722) is 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2ccsc2)n1)N1CCC[C@H]1CO.
What is the InChIKey of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone?
The InChIKey is SGJJHMYBFITKMR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N5O2S/c18-7-10-2-1-4-16(10)11(19)6-17-14-12(13-15-17)9-3-5-20-8-9/h3,5,8,10,18H,1-2,4,6-7H2/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone?
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone has a molecular weight of 293.35 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone is sourced from PubChem (CID 66260722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).