N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide

C13H28N2O3S — CID 67179924

IUPACN-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H28N2O3S/c1-2-3-4-5-13-19(16,17)14-7-6-8-15-9-11-18-12-10-15/h14H,2-13H2,1H3
InChIKeyFJUVFSXDRLANMO-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.21
Rot. Bonds10

About N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide

N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide (PubChem CID 67179924) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide
PubChem CID67179924
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H28N2O3S/c1-2-3-4-5-13-19(16,17)14-7-6-8-15-9-11-18-12-10-15/h14H,2-13H2,1H3
InChIKeyFJUVFSXDRLANMO-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
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-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide (CID 67179924) is N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide is CCCCCCS(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide?
The InChIKey is FJUVFSXDRLANMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-2-3-4-5-13-19(16,17)14-7-6-8-15-9-11-18-12-10-15/h14H,2-13H2,1H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide?
N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)hexane-1-sulfonamide is sourced from PubChem (CID 67179924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).