1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene

C12H20N2O4S — CID 79027963

IUPAC1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene
SMILESCOc1cccc(CN(C)S(=O)(=O)N[C@H](C)CO)c1
InChIInChI=1S/C12H20N2O4S/c1-10(9-15)13-19(16,17)14(2)8-11-5-4-6-12(7-11)18-3/h4-7,10,13,15H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyXBHILFDJDUVSTQ-SNVBAGLBSA-N
MW288.37 g/mol
LogP0.34
Rot. Bonds7

About 1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene

1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene (PubChem CID 79027963) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene
PubChem CID79027963
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene
SMILESCOc1cccc(CN(C)S(=O)(=O)N[C@H](C)CO)c1
InChIInChI=1S/C12H20N2O4S/c1-10(9-15)13-19(16,17)14(2)8-11-5-4-6-12(7-11)18-3/h4-7,10,13,15H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyXBHILFDJDUVSTQ-SNVBAGLBSA-N
XLogP0.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 64556823
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115613403
1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 104858736
1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115754479
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
CID 39359758
(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
CID 79685210
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
N-(1-hydroxypropan-2-yl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 113337596
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8780580

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene?
The IUPAC name of 1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene (CID 79027963) is 1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene.
What is the SMILES notation for 1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene?
The canonical SMILES for 1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene is COc1cccc(CN(C)S(=O)(=O)N[C@H](C)CO)c1.
What is the InChIKey of 1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene?
The InChIKey is XBHILFDJDUVSTQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-10(9-15)13-19(16,17)14(2)8-11-5-4-6-12(7-11)18-3/h4-7,10,13,15H,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene?
1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene has a molecular weight of 288.37 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene is sourced from PubChem (CID 79027963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).