N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide

C8H19NO6S2 — CID 63242741

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H19NO6S2/c1-9(6-8(10)7-15-2)17(13,14)5-4-16(3,11)12/h8,10H,4-7H2,1-3H3
InChIKeyBVKFOQLBRJLHRA-UHFFFAOYSA-N
MW289.38 g/mol
LogP-1.70
Rot. Bonds8

About N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide

N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide (PubChem CID 63242741) has the molecular formula C8H19NO6S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide
PubChem CID63242741
Molecular FormulaC8H19NO6S2
Molecular Weight289.38 g/mol
Exact Mass289.07
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H19NO6S2/c1-9(6-8(10)7-15-2)17(13,14)5-4-16(3,11)12/h8,10H,4-7H2,1-3H3
InChIKeyBVKFOQLBRJLHRA-UHFFFAOYSA-N
XLogP-1.70
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropanesulfonamide
CID 64554742
1-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylmethanesulfonamide
CID 54999330
2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114815632
methyl 2-[methyl(2-methylsulfonylethylsulfonyl)amino]acetate
CID 63242882
2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114809415
N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-4-sulfonamide
CID 62048631
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate
CID 62334087
2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153874
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
N-(2-bromo-3-methoxypropyl)-N,3-dimethylbutane-1-sulfonamide
CID 80673815
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358755
5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 65020928

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide (CID 63242741) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide is COCC(O)CN(C)S(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide?
The InChIKey is BVKFOQLBRJLHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO6S2/c1-9(6-8(10)7-15-2)17(13,14)5-4-16(3,11)12/h8,10H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide has a molecular weight of 289.38 g/mol, XLogP of -1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 63242741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).