3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide

C11H26N2O3S — CID 106092733

IUPAC3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCCCCOC
InChIInChI=1S/C11H26N2O3S/c1-3-12-8-7-11-17(14,15)13-9-5-4-6-10-16-2/h12-13H,3-11H2,1-2H3
InChIKeyRGPIEFXMQZUPJM-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.72
Rot. Bonds12

About 3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide

3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide (PubChem CID 106092733) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
PubChem CID106092733
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC Name3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCCCCOC
InChIInChI=1S/C11H26N2O3S/c1-3-12-8-7-11-17(14,15)13-9-5-4-6-10-16-2/h12-13H,3-11H2,1-2H3
InChIKeyRGPIEFXMQZUPJM-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
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 106079963
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
CID 106054025

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide (CID 106092733) is 3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide is CCNCCCS(=O)(=O)NCCCCCOC.
What is the InChIKey of 3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide?
The InChIKey is RGPIEFXMQZUPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-3-12-8-7-11-17(14,15)13-9-5-4-6-10-16-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide?
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide 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 3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide is sourced from PubChem (CID 106092733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).