2-(3-methylbutoxy)ethanesulfonamide

C7H17NO3S — CID 61484175

IUPAC2-(3-methylbutoxy)ethanesulfonamide
SMILESCC(C)CCOCCS(N)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-7(2)3-4-11-5-6-12(8,9)10/h7H,3-6H2,1-2H3,(H2,8,9,10)
InChIKeyQXVWOZKNKPDLNA-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.34
Rot. Bonds6

About 2-(3-methylbutoxy)ethanesulfonamide

2-(3-methylbutoxy)ethanesulfonamide (PubChem CID 61484175) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-(3-methylbutoxy)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)ethanesulfonamide
PubChem CID61484175
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2-(3-methylbutoxy)ethanesulfonamide
SMILESCC(C)CCOCCS(N)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-7(2)3-4-11-5-6-12(8,9)10/h7H,3-6H2,1-2H3,(H2,8,9,10)
InChIKeyQXVWOZKNKPDLNA-UHFFFAOYSA-N
XLogP0.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.34
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 2-(3-methylbutoxy)ethanesulfonamide?
The IUPAC name of 2-(3-methylbutoxy)ethanesulfonamide (CID 61484175) is 2-(3-methylbutoxy)ethanesulfonamide.
What is the SMILES notation for 2-(3-methylbutoxy)ethanesulfonamide?
The canonical SMILES for 2-(3-methylbutoxy)ethanesulfonamide is CC(C)CCOCCS(N)(=O)=O.
What is the InChIKey of 2-(3-methylbutoxy)ethanesulfonamide?
The InChIKey is QXVWOZKNKPDLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-7(2)3-4-11-5-6-12(8,9)10/h7H,3-6H2,1-2H3,(H2,8,9,10).
What are the key properties of 2-(3-methylbutoxy)ethanesulfonamide?
2-(3-methylbutoxy)ethanesulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)ethanesulfonamide is sourced from PubChem (CID 61484175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).