N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide

C14H24N2O3S — CID 106014183

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)c1cccc(CO)c1
InChIInChI=1S/C14H24N2O3S/c1-4-12(2)16(3)9-8-15-20(18,19)14-7-5-6-13(10-14)11-17/h5-7,10,12,15,17H,4,8-9,11H2,1-3H3
InChIKeyGMAFUOGXUVEVML-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.19
Rot. Bonds8

About N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide

N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide (PubChem CID 106014183) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide
PubChem CID106014183
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)c1cccc(CO)c1
InChIInChI=1S/C14H24N2O3S/c1-4-12(2)16(3)9-8-15-20(18,19)14-7-5-6-13(10-14)11-17/h5-7,10,12,15,17H,4,8-9,11H2,1-3H3
InChIKeyGMAFUOGXUVEVML-UHFFFAOYSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106014187
N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 114138869
N-(3-ethylsulfanylpropyl)-3-(hydroxymethyl)benzenesulfonamide
CID 114248709
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106014193
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide
CID 106014191
2-[2-(benzenesulfonamido)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913396
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682
N-benzyl-N-butan-2-yl-3-(ethylsulfamoyl)benzamide
CID 56536496
4-(aminomethyl)-2-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]benzenesulfonamide
CID 106094270
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106094307
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106056406
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide (CID 106014183) is N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide is CCC(C)N(C)CCNS(=O)(=O)c1cccc(CO)c1.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide?
The InChIKey is GMAFUOGXUVEVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-12(2)16(3)9-8-15-20(18,19)14-7-5-6-13(10-14)11-17/h5-7,10,12,15,17H,4,8-9,11H2,1-3H3.
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106014183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).