N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide

C11H26N2O3S — CID 106092786

IUPACN-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCCCCCOC
InChIInChI=1S/C11H26N2O3S/c1-3-7-12-9-11-17(14,15)13-8-5-4-6-10-16-2/h12-13H,3-11H2,1-2H3
InChIKeyLLVMNWWINZJWLK-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.72
Rot. Bonds12

About N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide

N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide (PubChem CID 106092786) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
PubChem CID106092786
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCCCCCOC
InChIInChI=1S/C11H26N2O3S/c1-3-7-12-9-11-17(14,15)13-8-5-4-6-10-16-2/h12-13H,3-11H2,1-2H3
InChIKeyLLVMNWWINZJWLK-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide
CID 120717495
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide (CID 106092786) is N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)NCCCCCOC.
What is the InChIKey of N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide?
The InChIKey is LLVMNWWINZJWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-3-7-12-9-11-17(14,15)13-8-5-4-6-10-16-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide?
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.72, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 106092786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).