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

C10H16ClN3OS2 — CID 120862491

IUPAC1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3CSCCS3)n2)CCC1
InChIInChI=1S/C10H15N3OS2.ClH/c11-10(2-1-3-10)9-12-8(14-13-9)7-6-15-4-5-16-7;/h7H,1-6,11H2;1H
InChIKeyJRWFASZKHJAZAY-UHFFFAOYSA-N
MW293.85 g/mol
LogP2.35
Rot. Bonds2

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

1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120862491) has the molecular formula C10H16ClN3OS2 and a molecular weight of 293.85 g/mol. Its IUPAC name is 1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120862491
Molecular FormulaC10H16ClN3OS2
Molecular Weight293.85 g/mol
Exact Mass293.04
IUPAC Name1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3CSCCS3)n2)CCC1
InChIInChI=1S/C10H15N3OS2.ClH/c11-10(2-1-3-10)9-12-8(14-13-9)7-6-15-4-5-16-7;/h7H,1-6,11H2;1H
InChIKeyJRWFASZKHJAZAY-UHFFFAOYSA-N
XLogP2.35
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.85
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride with MolForge

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Related Compounds

1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855602
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-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
CID 67390539
1-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 79212801
1-[5-(2-cyclohexylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862372
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one;hydrochloride
CID 120861003
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
1-[5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860181
1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864774
1-[5-[2-(3,5-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864773

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120862491) is 1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2noc(C3CSCCS3)n2)CCC1.
What is the InChIKey of 1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is JRWFASZKHJAZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2.ClH/c11-10(2-1-3-10)9-12-8(14-13-9)7-6-15-4-5-16-7;/h7H,1-6,11H2;1H.
What are the key properties of 1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 293.85 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,4-dithian-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120862491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).