N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide

C11H20N4O3S — CID 120856428

IUPACN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C11H20N4O3S/c1-10(2,15-19(3,16)17)9-13-8(14-18-9)11(12)6-4-5-7-11/h15H,4-7,12H2,1-3H3
InChIKeyPZAIXQOLEPFOEJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.58
Rot. Bonds4

About N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide (PubChem CID 120856428) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide
PubChem CID120856428
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide
SMILESCC(C)(NS(C)(=O)=O)c1nc(C2(N)CCCC2)no1
InChIInChI=1S/C11H20N4O3S/c1-10(2,15-19(3,16)17)9-13-8(14-18-9)11(12)6-4-5-7-11/h15H,4-7,12H2,1-3H3
InChIKeyPZAIXQOLEPFOEJ-UHFFFAOYSA-N
XLogP0.58
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 91641536
1-[5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104632814
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea;hydrochloride
CID 120856445
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]-3-phenylurea
CID 120856446
1-[5-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114105914
1-[5-[2-(2-methylphenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855344
1-[5-[2-(4-ethylphenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850872
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1,1-dioxothiolan-3-amine
CID 63166082
1-[5-[2-(2-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863796
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863922

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide (CID 120856428) is N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide is CC(C)(NS(C)(=O)=O)c1nc(C2(N)CCCC2)no1.
What is the InChIKey of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide?
The InChIKey is PZAIXQOLEPFOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-10(2,15-19(3,16)17)9-13-8(14-18-9)11(12)6-4-5-7-11/h15H,4-7,12H2,1-3H3.
What are the key properties of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide?
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 120856428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).