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

C9H17N3O4S — CID 103157921

IUPAC2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOC(CN)Cc1nc(C(C)S(C)(=O)=O)no1
InChIInChI=1S/C9H17N3O4S/c1-6(17(3,13)14)9-11-8(16-12-9)4-7(5-10)15-2/h6-7H,4-5,10H2,1-3H3
InChIKeyPOAAWLIOBMYRRQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP-0.31
Rot. Bonds6

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

2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 103157921) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID103157921
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Name2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOC(CN)Cc1nc(C(C)S(C)(=O)=O)no1
InChIInChI=1S/C9H17N3O4S/c1-6(17(3,13)14)9-11-8(16-12-9)4-7(5-10)15-2/h6-7H,4-5,10H2,1-3H3
InChIKeyPOAAWLIOBMYRRQ-UHFFFAOYSA-N
XLogP-0.31
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116632837
N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116633564
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methoxypropan-1-amine
CID 103157717
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157724
2-methoxy-3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 103157980
2-methoxy-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157574
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436675
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 103157591
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483639
2-methoxy-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157726
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79616272
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 116632871

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 103157921) is 2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is COC(CN)Cc1nc(C(C)S(C)(=O)=O)no1.
What is the InChIKey of 2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is POAAWLIOBMYRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-6(17(3,13)14)9-11-8(16-12-9)4-7(5-10)15-2/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 263.32 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 103157921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).