4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C10H19N3O3S — CID 116632620

IUPAC4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(CCCN)c1nc(C(C)S(C)(=O)=O)no1
InChIInChI=1S/C10H19N3O3S/c1-7(5-4-6-11)10-12-9(13-16-10)8(2)17(3,14)15/h7-8H,4-6,11H2,1-3H3
InChIKeyZCZSQLJWCIQRGD-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.02
Rot. Bonds6

About 4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 116632620) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID116632620
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(CCCN)c1nc(C(C)S(C)(=O)=O)no1
InChIInChI=1S/C10H19N3O3S/c1-7(5-4-6-11)10-12-9(13-16-10)8(2)17(3,14)15/h7-8H,4-6,11H2,1-3H3
InChIKeyZCZSQLJWCIQRGD-UHFFFAOYSA-N
XLogP1.02
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104685963
[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116632837
4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685815
(1S)-3-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904314
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104521857
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685872
2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112735076
4-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107502115
ethyl 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116632875
N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116633598
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685809

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 116632620) is 4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CC(CCCN)c1nc(C(C)S(C)(=O)=O)no1.
What is the InChIKey of 4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is ZCZSQLJWCIQRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-7(5-4-6-11)10-12-9(13-16-10)8(2)17(3,14)15/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 261.35 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 116632620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).