1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C14H19N3O3S2 — CID 120850910

IUPAC1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1sc(-c2nc(C3(N)CCCC3)no2)cc1CS(C)(=O)=O
InChIInChI=1S/C14H19N3O3S2/c1-9-10(8-22(2,18)19)7-11(21-9)12-16-13(17-20-12)14(15)5-3-4-6-14/h7H,3-6,8,15H2,1-2H3
InChIKeyWSHOVRHXCUWWHT-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.38
Rot. Bonds4

About 1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120850910) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120850910
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1sc(-c2nc(C3(N)CCCC3)no2)cc1CS(C)(=O)=O
InChIInChI=1S/C14H19N3O3S2/c1-9-10(8-22(2,18)19)7-11(21-9)12-16-13(17-20-12)14(15)5-3-4-6-14/h7H,3-6,8,15H2,1-2H3
InChIKeyWSHOVRHXCUWWHT-UHFFFAOYSA-N
XLogP2.38
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65238308
1-[5-(4-ethyl-5-propylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858819
1-[5-(5-methyl-4-nitrothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855214
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-[5-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864790
1-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 80538961
1-[5-[3-(methylsulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860209
N-[2-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
CID 120852105
1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855729
1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61406799
1-[5-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853372
1-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65215428

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120850910) is 1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1sc(-c2nc(C3(N)CCCC3)no2)cc1CS(C)(=O)=O.
What is the InChIKey of 1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is WSHOVRHXCUWWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-9-10(8-22(2,18)19)7-11(21-9)12-16-13(17-20-12)14(15)5-3-4-6-14/h7H,3-6,8,15H2,1-2H3.
What are the key properties of 1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 341.46 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120850910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).