N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

C10H20N4O2S — CID 106964952

IUPACN-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCCS(C)=O)o1
InChIInChI=1S/C10H20N4O2S/c1-4-5-11-8(2)9-13-14-10(16-9)12-6-7-17(3)15/h8,11H,4-7H2,1-3H3,(H,12,14)
InChIKeyJVNQIRCIEGCBFO-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.92
Rot. Bonds8

About N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106964952) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106964952
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCCS(C)=O)o1
InChIInChI=1S/C10H20N4O2S/c1-4-5-11-8(2)9-13-14-10(16-9)12-6-7-17(3)15/h8,11H,4-7H2,1-3H3,(H,12,14)
InChIKeyJVNQIRCIEGCBFO-UHFFFAOYSA-N
XLogP0.92
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
CID 106332579
5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102
5-[1-(propylamino)ethyl]-N-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106964046
N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969227
N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432
N-(cyclohexylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968919
5-[1-(propylamino)ethyl]-N-(thiolan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963106
N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964938
5-(1-chloroethyl)-N-(2-ethylsulfinylethyl)-1,3,4-oxadiazol-2-amine
CID 106958642
5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106959383
3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
CID 106098977
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106379121

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106964952) is N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NCCS(C)=O)o1.
What is the InChIKey of N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JVNQIRCIEGCBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-4-5-11-8(2)9-13-14-10(16-9)12-6-7-17(3)15/h8,11H,4-7H2,1-3H3,(H,12,14).
What are the key properties of N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 260.36 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).