3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

C10H13N3O3S2 — CID 43095881

IUPAC3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCS(=O)(=O)CCC(N)c1nc(-c2cccs2)no1
InChIInChI=1S/C10H13N3O3S2/c1-18(14,15)6-4-7(11)10-12-9(13-16-10)8-3-2-5-17-8/h2-3,5,7H,4,6,11H2,1H3
InChIKeySDQYJQUGFWRADL-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.23
Rot. Bonds5

About 3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 43095881) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID43095881
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCS(=O)(=O)CCC(N)c1nc(-c2cccs2)no1
InChIInChI=1S/C10H13N3O3S2/c1-18(14,15)6-4-7(11)10-12-9(13-16-10)8-3-2-5-17-8/h2-3,5,7H,4,6,11H2,1H3
InChIKeySDQYJQUGFWRADL-UHFFFAOYSA-N
XLogP1.23
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 107502076
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 115529105
5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine
CID 65418555
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 81261314
5-[(1R)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95154621
5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94828409
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 43358218
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94171443
1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfonylpropan-1-amine
CID 62332403
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334507

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 43095881) is 3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CS(=O)(=O)CCC(N)c1nc(-c2cccs2)no1.
What is the InChIKey of 3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is SDQYJQUGFWRADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-18(14,15)6-4-7(11)10-12-9(13-16-10)8-3-2-5-17-8/h2-3,5,7H,4,6,11H2,1H3.
What are the key properties of 3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 43095881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).