4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

C14H23N3O3S — CID 106997035

IUPAC4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCC1CN(C)CCO1
InChIInChI=1S/C14H23N3O3S/c1-11-7-12(8-15)3-4-14(11)21(18,19)16-9-13-10-17(2)5-6-20-13/h3-4,7,13,16H,5-6,8-10,15H2,1-2H3
InChIKeyQMPBZVBOURCVHE-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.06
Rot. Bonds5

About 4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 106997035) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID106997035
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCC1CN(C)CCO1
InChIInChI=1S/C14H23N3O3S/c1-11-7-12(8-15)3-4-14(11)21(18,19)16-9-13-10-17(2)5-6-20-13/h3-4,7,13,16H,5-6,8-10,15H2,1-2H3
InChIKeyQMPBZVBOURCVHE-UHFFFAOYSA-N
XLogP0.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-bromo-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 114625895
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79078860
4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 116528706
5-amino-2,3-difluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79080372
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 79079920
3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79079568
1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
CID 79079333
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929
3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083047

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (CID 106997035) is 4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)NCC1CN(C)CCO1.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is QMPBZVBOURCVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-11-7-12(8-15)3-4-14(11)21(18,19)16-9-13-10-17(2)5-6-20-13/h3-4,7,13,16H,5-6,8-10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106997035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).