[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine

C11H17N3O3S — CID 113311272

IUPAC[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESNCC1(c2nc(C3CCS(=O)(=O)C3)no2)CCC1
InChIInChI=1S/C11H17N3O3S/c12-7-11(3-1-4-11)10-13-9(14-17-10)8-2-5-18(15,16)6-8/h8H,1-7,12H2
InChIKeyKDUHPCDRBJEZJO-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.35
Rot. Bonds3

About [1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine

[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (PubChem CID 113311272) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is [1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
PubChem CID113311272
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
SMILESNCC1(c2nc(C3CCS(=O)(=O)C3)no2)CCC1
InChIInChI=1S/C11H17N3O3S/c12-7-11(3-1-4-11)10-13-9(14-17-10)8-2-5-18(15,16)6-8/h8H,1-7,12H2
InChIKeyKDUHPCDRBJEZJO-UHFFFAOYSA-N
XLogP0.35
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020
[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 115336055
[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450845
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782
[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 113309256
2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115336062
[4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 115335998
[1-[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 112743548
(1S)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901772
[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 113312330
2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 115336022

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine (CID 113311272) is [1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is NCC1(c2nc(C3CCS(=O)(=O)C3)no2)CCC1.
What is the InChIKey of [1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
The InChIKey is KDUHPCDRBJEZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-7-11(3-1-4-11)10-13-9(14-17-10)8-2-5-18(15,16)6-8/h8H,1-7,12H2.
What are the key properties of [1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine?
[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine has a molecular weight of 271.34 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine is sourced from PubChem (CID 113311272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).