N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine

C11H19N3O3S — CID 103931536

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCc1nc(CCNC2CCCC2S(C)(=O)=O)no1
InChIInChI=1S/C11H19N3O3S/c1-8-13-11(14-17-8)6-7-12-9-4-3-5-10(9)18(2,15)16/h9-10,12H,3-7H2,1-2H3
InChIKeyVPFTXEVUJCMMCP-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.48
Rot. Bonds5

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 103931536) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID103931536
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCc1nc(CCNC2CCCC2S(C)(=O)=O)no1
InChIInChI=1S/C11H19N3O3S/c1-8-13-11(14-17-8)6-7-12-9-4-3-5-10(9)18(2,15)16/h9-10,12H,3-7H2,1-2H3
InChIKeyVPFTXEVUJCMMCP-UHFFFAOYSA-N
XLogP0.48
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103748222
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931523
2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 106413869
2-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106413713
2,6-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931580
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 103698868
N-[2-(3,5-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65045905
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 106413636
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103698869
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
4-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 113243071

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine (CID 103931536) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine is Cc1nc(CCNC2CCCC2S(C)(=O)=O)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is VPFTXEVUJCMMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8-13-11(14-17-8)6-7-12-9-4-3-5-10(9)18(2,15)16/h9-10,12H,3-7H2,1-2H3.
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 273.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 103931536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).