N,N-diethyl-3-methoxypropane-1-sulfonamide

C8H19NO3S — CID 63931818

IUPACN,N-diethyl-3-methoxypropane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)CCCOC
InChIInChI=1S/C8H19NO3S/c1-4-9(5-2)13(10,11)8-6-7-12-3/h4-8H2,1-3H3
InChIKeyJXICKKJVSXHOAN-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.69
Rot. Bonds7

About N,N-diethyl-3-methoxypropane-1-sulfonamide

N,N-diethyl-3-methoxypropane-1-sulfonamide (PubChem CID 63931818) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N,N-diethyl-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-methoxypropane-1-sulfonamide
PubChem CID63931818
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN,N-diethyl-3-methoxypropane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)CCCOC
InChIInChI=1S/C8H19NO3S/c1-4-9(5-2)13(10,11)8-6-7-12-3/h4-8H2,1-3H3
InChIKeyJXICKKJVSXHOAN-UHFFFAOYSA-N
XLogP0.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methoxypropane-1-sulfonamide?
The IUPAC name of N,N-diethyl-3-methoxypropane-1-sulfonamide (CID 63931818) is N,N-diethyl-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N,N-diethyl-3-methoxypropane-1-sulfonamide is CCN(CC)S(=O)(=O)CCCOC.
What is the InChIKey of N,N-diethyl-3-methoxypropane-1-sulfonamide?
The InChIKey is JXICKKJVSXHOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-9(5-2)13(10,11)8-6-7-12-3/h4-8H2,1-3H3.
What are the key properties of N,N-diethyl-3-methoxypropane-1-sulfonamide?
N,N-diethyl-3-methoxypropane-1-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63931818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).