[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone

C10H11N5O3S — CID 79403974

IUPAC[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
SMILESO=C(c1sccc1-n1cnnn1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11N5O3S/c16-7-3-14(4-8(7)17)10(18)9-6(1-2-19-9)15-5-11-12-13-15/h1-2,5,7-8,16-17H,3-4H2/t7-,8+
InChIKeyXIIPFOSUNIEKAV-OCAPTIKFSA-N
MW281.30 g/mol
LogP-1.10
Rot. Bonds2

About [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone (PubChem CID 79403974) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
PubChem CID79403974
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
SMILESO=C(c1sccc1-n1cnnn1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H11N5O3S/c16-7-3-14(4-8(7)17)10(18)9-6(1-2-19-9)15-5-11-12-13-15/h1-2,5,7-8,16-17H,3-4H2/t7-,8+
InChIKeyXIIPFOSUNIEKAV-OCAPTIKFSA-N
XLogP-1.10
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone with MolForge

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Related Compounds

pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933
4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazine-2,6-dione
CID 66085870
(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
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride
CID 120745782
(3-hydroxy-3-methylpyrrolidin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 103730581
3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 60845060
4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]-1,4-diazepan-2-one
CID 62898172
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
ethyl (3S)-1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidine-3-carboxylate
CID 94117127
(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 106671096
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 110903617

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
The IUPAC name of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone (CID 79403974) is [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone.
What is the SMILES notation for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
The canonical SMILES for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone is O=C(c1sccc1-n1cnnn1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
The InChIKey is XIIPFOSUNIEKAV-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H11N5O3S/c16-7-3-14(4-8(7)17)10(18)9-6(1-2-19-9)15-5-11-12-13-15/h1-2,5,7-8,16-17H,3-4H2/t7-,8+.
What are the key properties of [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone?
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone has a molecular weight of 281.30 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[3-(tetrazol-1-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 79403974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).