N-butyl-2-methoxyethanesulfonamide

C7H17NO3S — CID 110300091

IUPACN-butyl-2-methoxyethanesulfonamide
SMILESCCCCNS(=O)(=O)CCOC
InChIInChI=1S/C7H17NO3S/c1-3-4-5-8-12(9,10)7-6-11-2/h8H,3-7H2,1-2H3
InChIKeyUEKQEYRXRYITQB-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.35
Rot. Bonds7

About N-butyl-2-methoxyethanesulfonamide

N-butyl-2-methoxyethanesulfonamide (PubChem CID 110300091) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-butyl-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-butyl-2-methoxyethanesulfonamide
PubChem CID110300091
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-butyl-2-methoxyethanesulfonamide
SMILESCCCCNS(=O)(=O)CCOC
InChIInChI=1S/C7H17NO3S/c1-3-4-5-8-12(9,10)7-6-11-2/h8H,3-7H2,1-2H3
InChIKeyUEKQEYRXRYITQB-UHFFFAOYSA-N
XLogP0.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
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-butyl-2-methoxyethanesulfonamide?
The IUPAC name of N-butyl-2-methoxyethanesulfonamide (CID 110300091) is N-butyl-2-methoxyethanesulfonamide.
What is the SMILES notation for N-butyl-2-methoxyethanesulfonamide?
The canonical SMILES for N-butyl-2-methoxyethanesulfonamide is CCCCNS(=O)(=O)CCOC.
What is the InChIKey of N-butyl-2-methoxyethanesulfonamide?
The InChIKey is UEKQEYRXRYITQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-3-4-5-8-12(9,10)7-6-11-2/h8H,3-7H2,1-2H3.
What are the key properties of N-butyl-2-methoxyethanesulfonamide?
N-butyl-2-methoxyethanesulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxyethanesulfonamide is sourced from PubChem (CID 110300091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).