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

C9H19N5O4S — CID 106969158

IUPACN-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
SMILESCOCCNCc1nnc(NCCNS(C)(=O)=O)o1
InChIInChI=1S/C9H19N5O4S/c1-17-6-5-10-7-8-13-14-9(18-8)11-3-4-12-19(2,15)16/h10,12H,3-7H2,1-2H3,(H,11,14)
InChIKeySPDDFTBEOWEJCW-UHFFFAOYSA-N
MW293.35 g/mol
LogP-1.23
Rot. Bonds10

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

N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide (PubChem CID 106969158) has the molecular formula C9H19N5O4S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
PubChem CID106969158
Molecular FormulaC9H19N5O4S
Molecular Weight293.35 g/mol
Exact Mass293.12
IUPAC NameN-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
SMILESCOCCNCc1nnc(NCCNS(C)(=O)=O)o1
InChIInChI=1S/C9H19N5O4S/c1-17-6-5-10-7-8-13-14-9(18-8)11-3-4-12-19(2,15)16/h10,12H,3-7H2,1-2H3,(H,11,14)
InChIKeySPDDFTBEOWEJCW-UHFFFAOYSA-N
XLogP-1.23
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methoxyethylamino)methyl]-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine
CID 106969617
N-[1-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 106961703
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006
N-(2-methoxyethyl)-2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964544
N-[2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide
CID 106956708
3-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 106280983
N-[(4-bromophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968346
5-[(2-methoxyethylamino)methyl]-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106968158
N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969613
5-[(2-methoxyethylamino)methyl]-N-[(2-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 107421557
5-[(2-methoxyethylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960372

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide (CID 106969158) is N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide is COCCNCc1nnc(NCCNS(C)(=O)=O)o1.
What is the InChIKey of N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide?
The InChIKey is SPDDFTBEOWEJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O4S/c1-17-6-5-10-7-8-13-14-9(18-8)11-3-4-12-19(2,15)16/h10,12H,3-7H2,1-2H3,(H,11,14).
What are the key properties of N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide?
N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide has a molecular weight of 293.35 g/mol, XLogP of -1.23, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 106969158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).