N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide

C25H53N3O3S — CID 146999012

IUPACN-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)NCCNCCCN1CCOCC1
InChIInChI=1S/C25H53N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32(29,30)27-19-18-26-17-16-20-28-21-23-31-24-22-28/h26-27H,2-25H2,1H3
InChIKeyARRDXOCJJJTWDP-UHFFFAOYSA-N
MW475.78 g/mol
LogP4.70
Rot. Bonds23

About N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide

N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide (PubChem CID 146999012) has the molecular formula C25H53N3O3S and a molecular weight of 475.78 g/mol. Its IUPAC name is N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide
PubChem CID146999012
Molecular FormulaC25H53N3O3S
Molecular Weight475.78 g/mol
Exact Mass475.38
IUPAC NameN-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)NCCNCCCN1CCOCC1
InChIInChI=1S/C25H53N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32(29,30)27-19-18-26-17-16-20-28-21-23-31-24-22-28/h26-27H,2-25H2,1H3
InChIKeyARRDXOCJJJTWDP-UHFFFAOYSA-N
XLogP4.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.78
LogP ≤ 54.70
H-Bond Donors ≤ 52
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-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide?
The IUPAC name of N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide (CID 146999012) is N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide.
What is the SMILES notation for N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide?
The canonical SMILES for N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide is CCCCCCCCCCCCCCCCS(=O)(=O)NCCNCCCN1CCOCC1.
What is the InChIKey of N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide?
The InChIKey is ARRDXOCJJJTWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-32(29,30)27-19-18-26-17-16-20-28-21-23-31-24-22-28/h26-27H,2-25H2,1H3.
What are the key properties of N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide?
N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide has a molecular weight of 475.78 g/mol, XLogP of 4.70, 23 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-morpholin-4-ylpropylamino)ethyl]hexadecane-1-sulfonamide is sourced from PubChem (CID 146999012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).