N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide

C10H21N5O3S — CID 106332579

IUPACN-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
SMILESCCCNC(C)c1nnc(NCCS(=O)(=O)NC)o1
InChIInChI=1S/C10H21N5O3S/c1-4-5-12-8(2)9-14-15-10(18-9)13-6-7-19(16,17)11-3/h8,11-12H,4-7H2,1-3H3,(H,13,15)
InChIKeyYXKFXXXIIXUPJG-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.09
Rot. Bonds9

About N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide

N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide (PubChem CID 106332579) has the molecular formula C10H21N5O3S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
PubChem CID106332579
Molecular FormulaC10H21N5O3S
Molecular Weight291.38 g/mol
Exact Mass291.14
IUPAC NameN-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
SMILESCCCNC(C)c1nnc(NCCS(=O)(=O)NC)o1
InChIInChI=1S/C10H21N5O3S/c1-4-5-12-8(2)9-14-15-10(18-9)13-6-7-19(16,17)11-3/h8,11-12H,4-7H2,1-3H3,(H,13,15)
InChIKeyYXKFXXXIIXUPJG-UHFFFAOYSA-N
XLogP0.09
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102
N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964952
5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970385
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
5-[1-(methylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970380
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
N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964938
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide (CID 106332579) is N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide is CCCNC(C)c1nnc(NCCS(=O)(=O)NC)o1.
What is the InChIKey of N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide?
The InChIKey is YXKFXXXIIXUPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O3S/c1-4-5-12-8(2)9-14-15-10(18-9)13-6-7-19(16,17)11-3/h8,11-12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide?
N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106332579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).