2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide

C8H19NO3S — CID 171753729

IUPAC2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)CC(C)C
InChIInChI=1S/C8H19NO3S/c1-8(2)7-9(3)13(10,11)6-5-12-4/h8H,5-7H2,1-4H3
InChIKeyHAJVMCPQVWNEQG-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.55
Rot. Bonds6

About 2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide

2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide (PubChem CID 171753729) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide
PubChem CID171753729
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)CC(C)C
InChIInChI=1S/C8H19NO3S/c1-8(2)7-9(3)13(10,11)6-5-12-4/h8H,5-7H2,1-4H3
InChIKeyHAJVMCPQVWNEQG-UHFFFAOYSA-N
XLogP0.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide (CID 171753729) is 2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide is COCCS(=O)(=O)N(C)CC(C)C.
What is the InChIKey of 2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide?
The InChIKey is HAJVMCPQVWNEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-8(2)7-9(3)13(10,11)6-5-12-4/h8H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide?
2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 171753729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).