2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane

C8H20N2O5S — CID 114815632

IUPAC2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
SMILESCOCCNS(=O)(=O)N(C)CC(O)COC
InChIInChI=1S/C8H20N2O5S/c1-10(6-8(11)7-15-3)16(12,13)9-4-5-14-2/h8-9,11H,4-7H2,1-3H3
InChIKeyROGWQIZWIHLYMZ-UHFFFAOYSA-N
MW256.32 g/mol
LogP-1.59
Rot. Bonds9

About 2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane

2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane (PubChem CID 114815632) has the molecular formula C8H20N2O5S and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane.

Molecular Properties

Compound Name2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
PubChem CID114815632
Molecular FormulaC8H20N2O5S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC Name2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane
SMILESCOCCNS(=O)(=O)N(C)CC(O)COC
InChIInChI=1S/C8H20N2O5S/c1-10(6-8(11)7-15-3)16(12,13)9-4-5-14-2/h8-9,11H,4-7H2,1-3H3
InChIKeyROGWQIZWIHLYMZ-UHFFFAOYSA-N
XLogP-1.59
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114809415
2-amino-1-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 114816735
methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate
CID 114816329
2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
4-(dimethylsulfamoylamino)-2-hydroxy-1-methoxybutane
CID 103876036
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 63242741
N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropanesulfonamide
CID 64554742
2-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 114814539
ethyl 3-[2-methoxyethylsulfamoyl(methyl)amino]propanoate
CID 114816338
1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane
CID 120716233
N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-4-sulfonamide
CID 62048631
N-(3-hydroxy-4-methoxybutyl)methanesulfonamide
CID 103875867

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane?
The IUPAC name of 2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane (CID 114815632) is 2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane.
What is the SMILES notation for 2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane?
The canonical SMILES for 2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane is COCCNS(=O)(=O)N(C)CC(O)COC.
What is the InChIKey of 2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane?
The InChIKey is ROGWQIZWIHLYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O5S/c1-10(6-8(11)7-15-3)16(12,13)9-4-5-14-2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane?
2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane has a molecular weight of 256.32 g/mol, XLogP of -1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methoxy-3-[2-methoxyethylsulfamoyl(methyl)amino]propane is sourced from PubChem (CID 114815632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).