(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

C11H15ClN4OS — CID 119933666

IUPAC(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C11H14N4OS.ClH/c12-9-1-3-15(5-9)6-10-13-11(14-16-10)8-2-4-17-7-8;/h2,4,7,9H,1,3,5-6,12H2;1H/t9-;/m0./s1
InChIKeyIQGNFONXIRFUQQ-FVGYRXGTSA-N
MW286.79 g/mol
LogP1.75
Rot. Bonds3

About (3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119933666) has the molecular formula C11H15ClN4OS and a molecular weight of 286.79 g/mol. Its IUPAC name is (3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119933666
Molecular FormulaC11H15ClN4OS
Molecular Weight286.79 g/mol
Exact Mass286.07
IUPAC Name(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C11H14N4OS.ClH/c12-9-1-3-15(5-9)6-10-13-11(14-16-10)8-2-4-17-7-8;/h2,4,7,9H,1,3,5-6,12H2;1H/t9-;/m0./s1
InChIKeyIQGNFONXIRFUQQ-FVGYRXGTSA-N
XLogP1.75
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride with MolForge

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Related Compounds

1-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630225
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923233
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905454
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 104975556
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 51931966
N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide
CID 94176772
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266
(6R)-2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95586164
2,2,6-trimethyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 48633424
1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120837427

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 119933666) is (3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.N[C@H]1CCN(Cc2nc(-c3ccsc3)no2)C1.
What is the InChIKey of (3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is IQGNFONXIRFUQQ-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H14N4OS.ClH/c12-9-1-3-15(5-9)6-10-13-11(14-16-10)8-2-4-17-7-8;/h2,4,7,9H,1,3,5-6,12H2;1H/t9-;/m0./s1.
What are the key properties of (3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 286.79 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119933666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).