3-ethoxy-N-propan-2-ylpropane-1-sulfonamide

C8H19NO3S — CID 118884460

IUPAC3-ethoxy-N-propan-2-ylpropane-1-sulfonamide
SMILESCCOCCCS(=O)(=O)NC(C)C
InChIInChI=1S/C8H19NO3S/c1-4-12-6-5-7-13(10,11)9-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeySETYGGZATUJIAS-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.74
Rot. Bonds7

About 3-ethoxy-N-propan-2-ylpropane-1-sulfonamide

3-ethoxy-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 118884460) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-ethoxy-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-ethoxy-N-propan-2-ylpropane-1-sulfonamide
PubChem CID118884460
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name3-ethoxy-N-propan-2-ylpropane-1-sulfonamide
SMILESCCOCCCS(=O)(=O)NC(C)C
InChIInChI=1S/C8H19NO3S/c1-4-12-6-5-7-13(10,11)9-8(2)3/h8-9H,4-7H2,1-3H3
InChIKeySETYGGZATUJIAS-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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 3-ethoxy-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 3-ethoxy-N-propan-2-ylpropane-1-sulfonamide (CID 118884460) is 3-ethoxy-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-ethoxy-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 3-ethoxy-N-propan-2-ylpropane-1-sulfonamide is CCOCCCS(=O)(=O)NC(C)C.
What is the InChIKey of 3-ethoxy-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is SETYGGZATUJIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-12-6-5-7-13(10,11)9-8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-N-propan-2-ylpropane-1-sulfonamide?
3-ethoxy-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 118884460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).