2,6-dimethyl-N-pentylmorpholine-4-sulfonamide

C11H24N2O3S — CID 42936367

IUPAC2,6-dimethyl-N-pentylmorpholine-4-sulfonamide
SMILESCCCCCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H24N2O3S/c1-4-5-6-7-12-17(14,15)13-8-10(2)16-11(3)9-13/h10-12H,4-9H2,1-3H3
InChIKeyQTEYACVERNKMKA-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.12
Rot. Bonds6

About 2,6-dimethyl-N-pentylmorpholine-4-sulfonamide

2,6-dimethyl-N-pentylmorpholine-4-sulfonamide (PubChem CID 42936367) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2,6-dimethyl-N-pentylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-pentylmorpholine-4-sulfonamide
PubChem CID42936367
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2,6-dimethyl-N-pentylmorpholine-4-sulfonamide
SMILESCCCCCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C11H24N2O3S/c1-4-5-6-7-12-17(14,15)13-8-10(2)16-11(3)9-13/h10-12H,4-9H2,1-3H3
InChIKeyQTEYACVERNKMKA-UHFFFAOYSA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
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 2,6-dimethyl-N-pentylmorpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-pentylmorpholine-4-sulfonamide (CID 42936367) is 2,6-dimethyl-N-pentylmorpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-pentylmorpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-pentylmorpholine-4-sulfonamide is CCCCCNS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N-pentylmorpholine-4-sulfonamide?
The InChIKey is QTEYACVERNKMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-5-6-7-12-17(14,15)13-8-10(2)16-11(3)9-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-pentylmorpholine-4-sulfonamide?
2,6-dimethyl-N-pentylmorpholine-4-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-pentylmorpholine-4-sulfonamide is sourced from PubChem (CID 42936367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).