2-(butylamino)-N-octylethanesulfonamide

C14H32N2O2S — CID 45480040

IUPAC2-(butylamino)-N-octylethanesulfonamide
SMILESCCCCCCCCNS(=O)(=O)CCNCCCC
InChIInChI=1S/C14H32N2O2S/c1-3-5-7-8-9-10-12-16-19(17,18)14-13-15-11-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyXPHDBDNSNCRNOS-UHFFFAOYSA-N
MW292.49 g/mol
LogP2.66
Rot. Bonds14

About 2-(butylamino)-N-octylethanesulfonamide

2-(butylamino)-N-octylethanesulfonamide (PubChem CID 45480040) has the molecular formula C14H32N2O2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-(butylamino)-N-octylethanesulfonamide.

Molecular Properties

Compound Name2-(butylamino)-N-octylethanesulfonamide
PubChem CID45480040
Molecular FormulaC14H32N2O2S
Molecular Weight292.49 g/mol
Exact Mass292.22
IUPAC Name2-(butylamino)-N-octylethanesulfonamide
SMILESCCCCCCCCNS(=O)(=O)CCNCCCC
InChIInChI=1S/C14H32N2O2S/c1-3-5-7-8-9-10-12-16-19(17,18)14-13-15-11-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyXPHDBDNSNCRNOS-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
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 2-(butylamino)-N-octylethanesulfonamide?
The IUPAC name of 2-(butylamino)-N-octylethanesulfonamide (CID 45480040) is 2-(butylamino)-N-octylethanesulfonamide.
What is the SMILES notation for 2-(butylamino)-N-octylethanesulfonamide?
The canonical SMILES for 2-(butylamino)-N-octylethanesulfonamide is CCCCCCCCNS(=O)(=O)CCNCCCC.
What is the InChIKey of 2-(butylamino)-N-octylethanesulfonamide?
The InChIKey is XPHDBDNSNCRNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2S/c1-3-5-7-8-9-10-12-16-19(17,18)14-13-15-11-6-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-(butylamino)-N-octylethanesulfonamide?
2-(butylamino)-N-octylethanesulfonamide has a molecular weight of 292.49 g/mol, XLogP of 2.66, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-octylethanesulfonamide is sourced from PubChem (CID 45480040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).