N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide

C11H26N2O4S2 — CID 65093412

IUPACN-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
SMILESCCN(CCCNCCCS(=O)(=O)CC)S(C)(=O)=O
InChIInChI=1S/C11H26N2O4S2/c1-4-13(18(3,14)15)10-6-8-12-9-7-11-19(16,17)5-2/h12H,4-11H2,1-3H3
InChIKeyOEERGDYBQGFFNX-UHFFFAOYSA-N
MW314.47 g/mol
LogP0.07
Rot. Bonds11

About N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide

N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide (PubChem CID 65093412) has the molecular formula C11H26N2O4S2 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
PubChem CID65093412
Molecular FormulaC11H26N2O4S2
Molecular Weight314.47 g/mol
Exact Mass314.13
IUPAC NameN-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
SMILESCCN(CCCNCCCS(=O)(=O)CC)S(C)(=O)=O
InChIInChI=1S/C11H26N2O4S2/c1-4-13(18(3,14)15)10-6-8-12-9-7-11-19(16,17)5-2/h12H,4-11H2,1-3H3
InChIKeyOEERGDYBQGFFNX-UHFFFAOYSA-N
XLogP0.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]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

N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903483
N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
CID 54903444
N-ethyl-N-[3-[(2,4,6-trimethylphenyl)methylamino]propyl]methanesulfonamide
CID 61013654
N-ethyl-N-[3-(4-phenylbutylamino)propyl]methanesulfonamide
CID 114333227
N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide
CID 79168502
N-ethyl-N-[3-[(2-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903438
N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide
CID 115652579
N-ethyl-N-[3-(thiadiazol-4-ylmethylamino)propyl]methanesulfonamide
CID 54903680
N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
CID 61488529
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790
N-ethyl-N-[3-[(4-nitrophenyl)methylamino]propyl]methanesulfonamide
CID 61014886
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide (CID 65093412) is N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide is CCN(CCCNCCCS(=O)(=O)CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide?
The InChIKey is OEERGDYBQGFFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O4S2/c1-4-13(18(3,14)15)10-6-8-12-9-7-11-19(16,17)5-2/h12H,4-11H2,1-3H3.
What are the key properties of N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide?
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide has a molecular weight of 314.47 g/mol, XLogP of 0.07, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide is sourced from PubChem (CID 65093412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).