N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide

C10H22N2O4S — CID 64911850

IUPACN-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(O)CCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C10H22N2O4S/c1-8(13)4-5-11-17(14,15)12-6-9(2)16-10(3)7-12/h8-11,13H,4-7H2,1-3H3
InChIKeyXJLRRZQKUYTJBA-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.30
Rot. Bonds5

About N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide

N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 64911850) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID64911850
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(O)CCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C10H22N2O4S/c1-8(13)4-5-11-17(14,15)12-6-9(2)16-10(3)7-12/h8-11,13H,4-7H2,1-3H3
InChIKeyXJLRRZQKUYTJBA-UHFFFAOYSA-N
XLogP-0.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 55167597
(2S,6S)-N-[2-[di(propan-2-yl)amino]ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 94607055
N-(2-aminoethyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43603513
N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
(2R,6S)-2,6-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 165470689
2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide
CID 113258257
N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide
CID 42936366
N-[2-(4-aminophenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120715648
2-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-N-propylacetamide
CID 47141080
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358
(2R,6R)-N-[3-(cyclopropylmethoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 95280186
2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide
CID 55621415

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide (CID 64911850) is N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide is CC(O)CCNS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is XJLRRZQKUYTJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(13)4-5-11-17(14,15)12-6-9(2)16-10(3)7-12/h8-11,13H,4-7H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 266.36 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 64911850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).