pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone

C10H11N5OS — CID 47187933

IUPACpyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
SMILESO=C(c1sccc1-n1cnnn1)N1CCCC1
InChIInChI=1S/C10H11N5OS/c16-10(14-4-1-2-5-14)9-8(3-6-17-9)15-7-11-12-13-15/h3,6-7H,1-2,4-5H2
InChIKeyAFVHYHOKGMZPOU-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.96
Rot. Bonds2

About pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone

pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone (PubChem CID 47187933) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
PubChem CID47187933
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Namepyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
SMILESO=C(c1sccc1-n1cnnn1)N1CCCC1
InChIInChI=1S/C10H11N5OS/c16-10(14-4-1-2-5-14)9-8(3-6-17-9)15-7-11-12-13-15/h3,6-7H,1-2,4-5H2
InChIKeyAFVHYHOKGMZPOU-UHFFFAOYSA-N
XLogP0.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 79403974
4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]-1,4-diazepan-2-one
CID 62898172
4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione
CID 66085870
(3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 103730581
ethyl (3S)-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidine-3-carboxylate
CID 94117127
(3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride
CID 119580143
1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 56816838
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
[3-(tetrazol-1-yl)thiophen-2-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55685894
(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 55645461
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride
CID 120745782
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone (CID 47187933) is pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone is O=C(c1sccc1-n1cnnn1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
The InChIKey is AFVHYHOKGMZPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c16-10(14-4-1-2-5-14)9-8(3-6-17-9)15-7-11-12-13-15/h3,6-7H,1-2,4-5H2.
What are the key properties of pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone has a molecular weight of 249.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 47187933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).