N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine

C10H17N3O3S — CID 154738881

IUPACN,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2(S(C)(=O)=O)CCCC2)n1
InChIInChI=1S/C10H17N3O3S/c1-13(2)9-11-8(16-12-9)10(17(3,14)15)6-4-5-7-10/h4-7H2,1-3H3
InChIKeySEDUDKRPKFXICM-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.95
Rot. Bonds3

About N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine (PubChem CID 154738881) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine
PubChem CID154738881
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2(S(C)(=O)=O)CCCC2)n1
InChIInChI=1S/C10H17N3O3S/c1-13(2)9-11-8(16-12-9)10(17(3,14)15)6-4-5-7-10/h4-7H2,1-3H3
InChIKeySEDUDKRPKFXICM-UHFFFAOYSA-N
XLogP0.95
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine (CID 154738881) is N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine is CN(C)c1noc(C2(S(C)(=O)=O)CCCC2)n1.
What is the InChIKey of N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is SEDUDKRPKFXICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-13(2)9-11-8(16-12-9)10(17(3,14)15)6-4-5-7-10/h4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 259.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 154738881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).