N-butan-2-yl-2-ethoxyethanesulfonamide

C8H19NO3S — CID 62732367

IUPACN-butan-2-yl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC(C)CC
InChIInChI=1S/C8H19NO3S/c1-4-8(3)9-13(10,11)7-6-12-5-2/h8-9H,4-7H2,1-3H3
InChIKeyDBZWEVFQBOGJMB-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.74
Rot. Bonds7

About N-butan-2-yl-2-ethoxyethanesulfonamide

N-butan-2-yl-2-ethoxyethanesulfonamide (PubChem CID 62732367) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-butan-2-yl-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2-ethoxyethanesulfonamide
PubChem CID62732367
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-butan-2-yl-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC(C)CC
InChIInChI=1S/C8H19NO3S/c1-4-8(3)9-13(10,11)7-6-12-5-2/h8-9H,4-7H2,1-3H3
InChIKeyDBZWEVFQBOGJMB-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 N-butan-2-yl-2-ethoxyethanesulfonamide?
The IUPAC name of N-butan-2-yl-2-ethoxyethanesulfonamide (CID 62732367) is N-butan-2-yl-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-butan-2-yl-2-ethoxyethanesulfonamide?
The canonical SMILES for N-butan-2-yl-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-ethoxyethanesulfonamide?
The InChIKey is DBZWEVFQBOGJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-4-8(3)9-13(10,11)7-6-12-5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of N-butan-2-yl-2-ethoxyethanesulfonamide?
N-butan-2-yl-2-ethoxyethanesulfonamide 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 N-butan-2-yl-2-ethoxyethanesulfonamide is sourced from PubChem (CID 62732367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).