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

C14H24N2O4S — CID 115754479

IUPAC1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
SMILESCCCC(O)CNS(=O)(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C14H24N2O4S/c1-4-6-13(17)10-15-21(18,19)16(2)11-12-7-5-8-14(9-12)20-3/h5,7-9,13,15,17H,4,6,10-11H2,1-3H3
InChIKeyWEVRYOXLGYXKDI-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.12
Rot. Bonds9

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

1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene (PubChem CID 115754479) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
PubChem CID115754479
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
SMILESCCCC(O)CNS(=O)(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C14H24N2O4S/c1-4-6-13(17)10-15-21(18,19)16(2)11-12-7-5-8-14(9-12)20-3/h5,7-9,13,15,17H,4,6,10-11H2,1-3H3
InChIKeyWEVRYOXLGYXKDI-UHFFFAOYSA-N
XLogP1.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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-ethylbutylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene
CID 115613403
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
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
1-[[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 64556823
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
CID 110629589
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042805
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
CID 39359758

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene?
The IUPAC name of 1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene (CID 115754479) is 1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene.
What is the SMILES notation for 1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene?
The canonical SMILES for 1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene is CCCC(O)CNS(=O)(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of 1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene?
The InChIKey is WEVRYOXLGYXKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-6-13(17)10-15-21(18,19)16(2)11-12-7-5-8-14(9-12)20-3/h5,7-9,13,15,17H,4,6,10-11H2,1-3H3.
What are the key properties of 1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene?
1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene has a molecular weight of 316.42 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxypentylsulfamoyl(methyl)amino]methyl]-3-methoxybenzene is sourced from PubChem (CID 115754479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).