N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide

C9H20N2O4S2 — CID 103835686

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H20N2O4S2/c1-9(12,8-16-2)7-10-17(13,14)11-3-5-15-6-4-11/h10,12H,3-8H2,1-2H3
InChIKeyYXTIQVTUIJTJDK-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.73
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide (PubChem CID 103835686) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide
PubChem CID103835686
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H20N2O4S2/c1-9(12,8-16-2)7-10-17(13,14)11-3-5-15-6-4-11/h10,12H,3-8H2,1-2H3
InChIKeyYXTIQVTUIJTJDK-UHFFFAOYSA-N
XLogP-0.73
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide
CID 103835694
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 66171400
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide
CID 106245535
1-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)methanesulfonamide
CID 106248521
N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide
CID 107158136
N-[2-(3-hydroxypropylsulfanyl)ethyl]morpholine-4-sulfonamide
CID 103834903
N-[2-methyl-3-(methylamino)propyl]morpholine-4-sulfonamide
CID 115302914
2-hydroxy-2-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-3-methylsulfanylpropane
CID 103835642
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butane-1-sulfonamide
CID 90523075
N-[2-(dimethylamino)ethyl]morpholine-4-sulfonamide
CID 110705984
3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoic acid
CID 106244687
N-bromomorpholine-4-sulfonamide
CID 117126249

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide (CID 103835686) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide is CSCC(C)(O)CNS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide?
The InChIKey is YXTIQVTUIJTJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-9(12,8-16-2)7-10-17(13,14)11-3-5-15-6-4-11/h10,12H,3-8H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide is sourced from PubChem (CID 103835686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).