3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide

C11H17N3O3S — CID 83014024

IUPAC3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NN2CCOCC2)c1
InChIInChI=1S/C11H17N3O3S/c12-9-10-2-1-3-11(8-10)18(15,16)13-14-4-6-17-7-5-14/h1-3,8,13H,4-7,9,12H2
InChIKeyFLXGKKYMOOIBHO-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.33
Rot. Bonds4

About 3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide

3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 83014024) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
PubChem CID83014024
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NN2CCOCC2)c1
InChIInChI=1S/C11H17N3O3S/c12-9-10-2-1-3-11(8-10)18(15,16)13-14-4-6-17-7-5-14/h1-3,8,13H,4-7,9,12H2
InChIKeyFLXGKKYMOOIBHO-UHFFFAOYSA-N
XLogP-0.33
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 106919541
3-cyano-N-morpholin-4-ylbenzenesulfonamide
CID 83015557
3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
CID 83018391
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83026009
4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83023580
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61482582
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
CID 83004105
3-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327412
4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
3-hydroxy-N-piperidin-1-ylbenzenesulfonamide
CID 83019095

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide (CID 83014024) is 3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide is NCc1cccc(S(=O)(=O)NN2CCOCC2)c1.
What is the InChIKey of 3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is FLXGKKYMOOIBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-9-10-2-1-3-11(8-10)18(15,16)13-14-4-6-17-7-5-14/h1-3,8,13H,4-7,9,12H2.
What are the key properties of 3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 83014024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).