1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine

C13H23N3O3S — CID 65391282

IUPAC1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1nc(C2CCCCCC2)no1
InChIInChI=1S/C13H23N3O3S/c1-20(17,18)9-8-11(14)13-15-12(16-19-13)10-6-4-2-3-5-7-10/h10-11H,2-9,14H2,1H3
InChIKeyGZDBSLSMMXTEPX-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.94
Rot. Bonds5

About 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine

1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 65391282) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine
PubChem CID65391282
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1nc(C2CCCCCC2)no1
InChIInChI=1S/C13H23N3O3S/c1-20(17,18)9-8-11(14)13-15-12(16-19-13)10-6-4-2-3-5-7-10/h10-11H,2-9,14H2,1H3
InChIKeyGZDBSLSMMXTEPX-UHFFFAOYSA-N
XLogP1.94
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine
CID 65418555
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 65389317
(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144988
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65395345
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
(1S)-1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565376
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565388

Frequently Asked Questions

What is the IUPAC name of 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine (CID 65391282) is 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCC(N)c1nc(C2CCCCCC2)no1.
What is the InChIKey of 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is GZDBSLSMMXTEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-20(17,18)9-8-11(14)13-15-12(16-19-13)10-6-4-2-3-5-7-10/h10-11H,2-9,14H2,1H3.
What are the key properties of 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine?
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine has a molecular weight of 301.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 65391282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).