2-methoxy-N-(3-methylbutyl)ethanesulfonamide

C8H19NO3S — CID 86846857

IUPAC2-methoxy-N-(3-methylbutyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)NCCC(C)C
InChIInChI=1S/C8H19NO3S/c1-8(2)4-5-9-13(10,11)7-6-12-3/h8-9H,4-7H2,1-3H3
InChIKeyQZFSGABXNRCKSL-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.60
Rot. Bonds7

About 2-methoxy-N-(3-methylbutyl)ethanesulfonamide

2-methoxy-N-(3-methylbutyl)ethanesulfonamide (PubChem CID 86846857) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methylbutyl)ethanesulfonamide
PubChem CID86846857
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name2-methoxy-N-(3-methylbutyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)NCCC(C)C
InChIInChI=1S/C8H19NO3S/c1-8(2)4-5-9-13(10,11)7-6-12-3/h8-9H,4-7H2,1-3H3
InChIKeyQZFSGABXNRCKSL-UHFFFAOYSA-N
XLogP0.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylbutyl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(3-methylbutyl)ethanesulfonamide (CID 86846857) is 2-methoxy-N-(3-methylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(3-methylbutyl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(3-methylbutyl)ethanesulfonamide is COCCS(=O)(=O)NCCC(C)C.
What is the InChIKey of 2-methoxy-N-(3-methylbutyl)ethanesulfonamide?
The InChIKey is QZFSGABXNRCKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-8(2)4-5-9-13(10,11)7-6-12-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-N-(3-methylbutyl)ethanesulfonamide?
2-methoxy-N-(3-methylbutyl)ethanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylbutyl)ethanesulfonamide is sourced from PubChem (CID 86846857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).