N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide

C11H24N2O3S — CID 94181344

IUPACN-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H24N2O3S/c1-4-17(14,15)12-6-5-7-13-8-10(2)16-11(3)9-13/h10-12H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyYMMUGTQWXCNILP-QWRGUYRKSA-N
MW264.39 g/mol
LogP0.43
Rot. Bonds6

About N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide

N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide (PubChem CID 94181344) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide
PubChem CID94181344
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H24N2O3S/c1-4-17(14,15)12-6-5-7-13-8-10(2)16-11(3)9-13/h10-12H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyYMMUGTQWXCNILP-QWRGUYRKSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]ethanesulfonamide
CID 97058705
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60851499
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid
CID 9248889
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 51330970
5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
CID 51330982
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 53215720
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine
CID 104960941
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylguanidine;hydroiodide
CID 51131455
5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide
CID 55603646

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide?
The IUPAC name of N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide (CID 94181344) is N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide?
The canonical SMILES for N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide is CCS(=O)(=O)NCCCN1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide?
The InChIKey is YMMUGTQWXCNILP-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-17(14,15)12-6-5-7-13-8-10(2)16-11(3)9-13/h10-12H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide?
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide 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-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide is sourced from PubChem (CID 94181344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).