3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole

C12H25N5O3S — CID 106423755

IUPAC3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole
SMILESCc1noc(CCNS(=O)(=O)N(C)CCCNC(C)C)n1
InChIInChI=1S/C12H25N5O3S/c1-10(2)13-7-5-9-17(4)21(18,19)14-8-6-12-15-11(3)16-20-12/h10,13-14H,5-9H2,1-4H3
InChIKeyIIKSIHYVMUDAEO-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.07
Rot. Bonds10

About 3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole

3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole (PubChem CID 106423755) has the molecular formula C12H25N5O3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole
PubChem CID106423755
Molecular FormulaC12H25N5O3S
Molecular Weight319.43 g/mol
Exact Mass319.17
IUPAC Name3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole
SMILESCc1noc(CCNS(=O)(=O)N(C)CCCNC(C)C)n1
InChIInChI=1S/C12H25N5O3S/c1-10(2)13-7-5-9-17(4)21(18,19)14-8-6-12-15-11(3)16-20-12/h10,13-14H,5-9H2,1-4H3
InChIKeyIIKSIHYVMUDAEO-UHFFFAOYSA-N
XLogP0.07
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine
CID 106416784
2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
CID 106085328
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1-sulfonamide
CID 106423734
4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane
CID 106066730
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106423667
2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene
CID 106094609
N,N-dimethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 115747820
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-2-methylsulfanylpropane
CID 106080844
1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole
CID 106077012

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole (CID 106423755) is 3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole is Cc1noc(CCNS(=O)(=O)N(C)CCCNC(C)C)n1.
What is the InChIKey of 3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole?
The InChIKey is IIKSIHYVMUDAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O3S/c1-10(2)13-7-5-9-17(4)21(18,19)14-8-6-12-15-11(3)16-20-12/h10,13-14H,5-9H2,1-4H3.
What are the key properties of 3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole has a molecular weight of 319.43 g/mol, XLogP of 0.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106423755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).