N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide

C11H24N2O3S — CID 86817595

IUPACN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1CCOC(C)(C)C1
InChIInChI=1S/C11H24N2O3S/c1-4-9-17(14,15)12-5-6-13-7-8-16-11(2,3)10-13/h12H,4-10H2,1-3H3
InChIKeyDFXSVIVJPCANRE-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.43
Rot. Bonds6

About N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide (PubChem CID 86817595) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide
PubChem CID86817595
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1CCOC(C)(C)C1
InChIInChI=1S/C11H24N2O3S/c1-4-9-17(14,15)12-5-6-13-7-8-16-11(2,3)10-13/h12H,4-10H2,1-3H3
InChIKeyDFXSVIVJPCANRE-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide (CID 86817595) is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCN1CCOC(C)(C)C1.
What is the InChIKey of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide?
The InChIKey is DFXSVIVJPCANRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-9-17(14,15)12-5-6-13-7-8-16-11(2,3)10-13/h12H,4-10H2,1-3H3.
What are the key properties of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide?
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 86817595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).