2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C9H17N5O3S — CID 106960972

IUPAC2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCS(=O)(=O)N1CCN(c2nnc(CCN)o2)CC1
InChIInChI=1S/C9H17N5O3S/c1-18(15,16)14-6-4-13(5-7-14)9-12-11-8(17-9)2-3-10/h2-7,10H2,1H3
InChIKeyIHAIPEWICFPESL-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.35
Rot. Bonds4

About 2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106960972) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106960972
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCS(=O)(=O)N1CCN(c2nnc(CCN)o2)CC1
InChIInChI=1S/C9H17N5O3S/c1-18(15,16)14-6-4-13(5-7-14)9-12-11-8(17-9)2-3-10/h2-7,10H2,1H3
InChIKeyIHAIPEWICFPESL-UHFFFAOYSA-N
XLogP-1.35
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106960972) is 2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CS(=O)(=O)N1CCN(c2nnc(CCN)o2)CC1.
What is the InChIKey of 2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is IHAIPEWICFPESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-18(15,16)14-6-4-13(5-7-14)9-12-11-8(17-9)2-3-10/h2-7,10H2,1H3.
What are the key properties of 2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 275.33 g/mol, XLogP of -1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106960972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).