5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine

C6H12N4O3S — CID 65418555

IUPAC5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine
SMILESCS(=O)(=O)CCC(N)c1nc(N)no1
InChIInChI=1S/C6H12N4O3S/c1-14(11,12)3-2-4(7)5-9-6(8)10-13-5/h4H,2-3,7H2,1H3,(H2,8,10)
InChIKeyXGEGQOJSUBGTPD-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.91
Rot. Bonds4

About 5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine

5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine (PubChem CID 65418555) has the molecular formula C6H12N4O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine
PubChem CID65418555
Molecular FormulaC6H12N4O3S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC Name5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine
SMILESCS(=O)(=O)CCC(N)c1nc(N)no1
InChIInChI=1S/C6H12N4O3S/c1-14(11,12)3-2-4(7)5-9-6(8)10-13-5/h4H,2-3,7H2,1H3,(H2,8,10)
InChIKeyXGEGQOJSUBGTPD-UHFFFAOYSA-N
XLogP-0.91
TPSA125.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 115529105
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 107502076
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine
CID 65391282
3-methylsulfonyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807488
1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 62332403
3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43095881
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 81261314
1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 62472893
(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
2-methylsulfonyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 83290514
1-isoquinolin-1-yl-3-methylsulfonylpropan-1-amine
CID 63950264
(2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 94451312

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine (CID 65418555) is 5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine is CS(=O)(=O)CCC(N)c1nc(N)no1.
What is the InChIKey of 5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is XGEGQOJSUBGTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3S/c1-14(11,12)3-2-4(7)5-9-6(8)10-13-5/h4H,2-3,7H2,1H3,(H2,8,10).
What are the key properties of 5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine?
5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 220.25 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65418555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).