N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide

C11H26N2O3S — CID 106116385

IUPACN-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)CCOCC
InChIInChI=1S/C11H26N2O3S/c1-3-5-11(6-7-12)10-13-17(14,15)9-8-16-4-2/h11,13H,3-10,12H2,1-2H3
InChIKeyWZAYMBDIMKFSQS-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.71
Rot. Bonds11

About N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide

N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide (PubChem CID 106116385) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide
PubChem CID106116385
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)CCOCC
InChIInChI=1S/C11H26N2O3S/c1-3-5-11(6-7-12)10-13-17(14,15)9-8-16-4-2/h11,13H,3-10,12H2,1-2H3
InChIKeyWZAYMBDIMKFSQS-UHFFFAOYSA-N
XLogP0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide (CID 106116385) is N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide is CCCC(CCN)CNS(=O)(=O)CCOCC.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide?
The InChIKey is WZAYMBDIMKFSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-3-5-11(6-7-12)10-13-17(14,15)9-8-16-4-2/h11,13H,3-10,12H2,1-2H3.
What are the key properties of N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide?
N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.71, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 106116385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).