1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene

C14H24N2O4S — CID 64556823

IUPAC1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
SMILESCCC(C)(CO)NS(=O)(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C14H24N2O4S/c1-5-14(2,11-17)15-21(18,19)16(3)10-12-7-6-8-13(9-12)20-4/h6-9,15,17H,5,10-11H2,1-4H3
InChIKeyKWKHBQMIOMGDSL-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.12
Rot. Bonds8

About 1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene

1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene (PubChem CID 64556823) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
PubChem CID64556823
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
SMILESCCC(C)(CO)NS(=O)(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C14H24N2O4S/c1-5-14(2,11-17)15-21(18,19)16(3)10-12-7-6-8-13(9-12)20-4/h6-9,15,17H,5,10-11H2,1-4H3
InChIKeyKWKHBQMIOMGDSL-UHFFFAOYSA-N
XLogP1.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 104858736
1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 79027963
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115613403
1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115754479
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 55055189
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 114290441
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
CID 39359758
(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
CID 79685210
methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620273
1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea
CID 134104762

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene?
The IUPAC name of 1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene (CID 64556823) is 1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene.
What is the SMILES notation for 1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene?
The canonical SMILES for 1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene is CCC(C)(CO)NS(=O)(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene?
The InChIKey is KWKHBQMIOMGDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-5-14(2,11-17)15-21(18,19)16(3)10-12-7-6-8-13(9-12)20-4/h6-9,15,17H,5,10-11H2,1-4H3.
What are the key properties of 1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene?
1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene has a molecular weight of 316.42 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene is sourced from PubChem (CID 64556823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).