N-(2-ethoxyethyl)propane-2-sulfonamide

C7H17NO3S — CID 61355525

IUPACN-(2-ethoxyethyl)propane-2-sulfonamide
SMILESCCOCCNS(=O)(=O)C(C)C
InChIInChI=1S/C7H17NO3S/c1-4-11-6-5-8-12(9,10)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyNLJRVFRJXMIEPX-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.35
Rot. Bonds6

About N-(2-ethoxyethyl)propane-2-sulfonamide

N-(2-ethoxyethyl)propane-2-sulfonamide (PubChem CID 61355525) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(2-ethoxyethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)propane-2-sulfonamide
PubChem CID61355525
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-(2-ethoxyethyl)propane-2-sulfonamide
SMILESCCOCCNS(=O)(=O)C(C)C
InChIInChI=1S/C7H17NO3S/c1-4-11-6-5-8-12(9,10)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyNLJRVFRJXMIEPX-UHFFFAOYSA-N
XLogP0.35
TPSA55.40 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 ≤ 50.35
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-(2-ethoxyethyl)propane-2-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)propane-2-sulfonamide (CID 61355525) is N-(2-ethoxyethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)propane-2-sulfonamide is CCOCCNS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-ethoxyethyl)propane-2-sulfonamide?
The InChIKey is NLJRVFRJXMIEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-4-11-6-5-8-12(9,10)7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)propane-2-sulfonamide?
N-(2-ethoxyethyl)propane-2-sulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)propane-2-sulfonamide is sourced from PubChem (CID 61355525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).