1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene

C15H26N2O3S — CID 115613403

IUPAC1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
SMILESCCC(CC)CNS(=O)(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H26N2O3S/c1-5-13(6-2)11-16-21(18,19)17(3)12-14-8-7-9-15(10-14)20-4/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyMNCGXRPISWXHLK-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.40
Rot. Bonds9

About 1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene

1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene (PubChem CID 115613403) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
PubChem CID115613403
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
SMILESCCC(CC)CNS(=O)(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C15H26N2O3S/c1-5-13(6-2)11-16-21(18,19)17(3)12-14-8-7-9-15(10-14)20-4/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyMNCGXRPISWXHLK-UHFFFAOYSA-N
XLogP2.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115754479
1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 79027963
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
1-[[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 104858736
1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 64556823
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
CID 39359758
(3R)-3-[[(3-methoxyphenyl)methyl-methylsulfamoyl]amino]pyrrolidine
CID 79685210
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62568221
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
CID 65245123
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
CID 110629589

Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene?
The IUPAC name of 1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene (CID 115613403) is 1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene.
What is the SMILES notation for 1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene?
The canonical SMILES for 1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene is CCC(CC)CNS(=O)(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene?
The InChIKey is MNCGXRPISWXHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-13(6-2)11-16-21(18,19)17(3)12-14-8-7-9-15(10-14)20-4/h7-10,13,16H,5-6,11-12H2,1-4H3.
What are the key properties of 1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene?
1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene has a molecular weight of 314.45 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene is sourced from PubChem (CID 115613403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).