N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine

C14H22N2O3S — CID 14855232

IUPACN-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine
SMILESO=S(=O)(CCNCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c17-20(18,14-4-2-1-3-5-14)13-7-15-6-8-16-9-11-19-12-10-16/h1-5,15H,6-13H2
InChIKeyJREPGMYBXJBPQN-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.38
Rot. Bonds7

About N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine

N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine (PubChem CID 14855232) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine
PubChem CID14855232
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine
SMILESO=S(=O)(CCNCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c17-20(18,14-4-2-1-3-5-14)13-7-15-6-8-16-9-11-19-12-10-16/h1-5,15H,6-13H2
InChIKeyJREPGMYBXJBPQN-UHFFFAOYSA-N
XLogP0.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine (CID 14855232) is N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine is O=S(=O)(CCNCCN1CCOCC1)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine?
The InChIKey is JREPGMYBXJBPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c17-20(18,14-4-2-1-3-5-14)13-7-15-6-8-16-9-11-19-12-10-16/h1-5,15H,6-13H2.
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine?
N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine has a molecular weight of 298.41 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 14855232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).