2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride

C10H17ClN4O2S — CID 120855032

IUPAC2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride
SMILESCl.NC(=O)CSCc1nc(C2(N)CCCC2)no1
InChIInChI=1S/C10H16N4O2S.ClH/c11-7(15)5-17-6-8-13-9(14-16-8)10(12)3-1-2-4-10;/h1-6,12H2,(H2,11,15);1H
InChIKeyRMJKPZHHFWAQJT-UHFFFAOYSA-N
MW292.79 g/mol
LogP0.94
Rot. Bonds5

About 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride

2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride (PubChem CID 120855032) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride
PubChem CID120855032
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC Name2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride
SMILESCl.NC(=O)CSCc1nc(C2(N)CCCC2)no1
InChIInChI=1S/C10H16N4O2S.ClH/c11-7(15)5-17-6-8-13-9(14-16-8)10(12)3-1-2-4-10;/h1-6,12H2,(H2,11,15);1H
InChIKeyRMJKPZHHFWAQJT-UHFFFAOYSA-N
XLogP0.94
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212
1-[5-(pyridin-4-ylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850989
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid
CID 134354846
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2,5-dione;hydrochloride
CID 120851273
1-[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanylmethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858738
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
2-[[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570752
1-[4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-fluorophenyl]ethanone
CID 120852660
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride
CID 120864337

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride?
The IUPAC name of 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride (CID 120855032) is 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride?
The canonical SMILES for 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride is Cl.NC(=O)CSCc1nc(C2(N)CCCC2)no1.
What is the InChIKey of 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride?
The InChIKey is RMJKPZHHFWAQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S.ClH/c11-7(15)5-17-6-8-13-9(14-16-8)10(12)3-1-2-4-10;/h1-6,12H2,(H2,11,15);1H.
What are the key properties of 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride?
2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride has a molecular weight of 292.79 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide;hydrochloride is sourced from PubChem (CID 120855032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).