1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C11H18ClN3OS — CID 120855602

IUPAC1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3CCCS3)n2)CCCC1
InChIInChI=1S/C11H17N3OS.ClH/c12-11(5-1-2-6-11)10-13-9(15-14-10)8-4-3-7-16-8;/h8H,1-7,12H2;1H
InChIKeyRMQGIHGRSDZWBE-UHFFFAOYSA-N
MW275.81 g/mol
LogP2.79
Rot. Bonds2

About 1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120855602) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120855602
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3CCCS3)n2)CCCC1
InChIInChI=1S/C11H17N3OS.ClH/c12-11(5-1-2-6-11)10-13-9(15-14-10)8-4-3-7-16-8;/h8H,1-7,12H2;1H
InChIKeyRMQGIHGRSDZWBE-UHFFFAOYSA-N
XLogP2.79
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862491
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
CID 67390539
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523
1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81327799
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662
3-chloro-5-(thian-2-yl)-1,2,4-oxadiazole
CID 112572106
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120853388
1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 79212801
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 61352528

Frequently Asked Questions

What is the IUPAC name of 1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120855602) is 1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(C3CCCS3)n2)CCCC1.
What is the InChIKey of 1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is RMQGIHGRSDZWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.ClH/c12-11(5-1-2-6-11)10-13-9(15-14-10)8-4-3-7-16-8;/h8H,1-7,12H2;1H.
What are the key properties of 1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 275.81 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120855602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).