1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C13H21N3O3S — CID 120858876

IUPAC1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(CCS(=O)(=O)C3CCCC3)n2)CCC1
InChIInChI=1S/C13H21N3O3S/c14-13(7-3-8-13)12-15-11(19-16-12)6-9-20(17,18)10-4-1-2-5-10/h10H,1-9,14H2
InChIKeyLOGRJWQPHULKGA-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.31
Rot. Bonds5

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

1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120858876) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120858876
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(CCS(=O)(=O)C3CCCC3)n2)CCC1
InChIInChI=1S/C13H21N3O3S/c14-13(7-3-8-13)12-15-11(19-16-12)6-9-20(17,18)10-4-1-2-5-10/h10H,1-9,14H2
InChIKeyLOGRJWQPHULKGA-UHFFFAOYSA-N
XLogP1.31
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
1-[5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861670
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
1-[5-[2-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859637
2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 120864329
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
1-[5-(cyclohexyloxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854290
5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 136536934
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 120851636

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120858876) is 1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(CCS(=O)(=O)C3CCCC3)n2)CCC1.
What is the InChIKey of 1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is LOGRJWQPHULKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c14-13(7-3-8-13)12-15-11(19-16-12)6-9-20(17,18)10-4-1-2-5-10/h10H,1-9,14H2.
What are the key properties of 1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 299.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclopentylsulfonylethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120858876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).