3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

C11H18N2O3S — CID 62333565

IUPAC3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C11H18N2O3S/c1-9(14)8-13(2)17(15,16)11-5-3-4-10(6-11)7-12/h3-6,9,14H,7-8,12H2,1-2H3
InChIKeyHFGPLDNAFHRUKY-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.15
Rot. Bonds5

About 3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (PubChem CID 62333565) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
PubChem CID62333565
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C11H18N2O3S/c1-9(14)8-13(2)17(15,16)11-5-3-4-10(6-11)7-12/h3-6,9,14H,7-8,12H2,1-2H3
InChIKeyHFGPLDNAFHRUKY-UHFFFAOYSA-N
XLogP0.15
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide
CID 43374208
3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265789
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 54884408
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate
CID 62334814
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 115329228
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
acetic acid;(3-methylsulfonylphenyl)methanamine
CID 86081139

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (CID 62333565) is 3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is CC(O)CN(C)S(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is HFGPLDNAFHRUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9(14)8-13(2)17(15,16)11-5-3-4-10(6-11)7-12/h3-6,9,14H,7-8,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62333565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).