3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide

C11H17N3O3S — CID 83012919

IUPAC3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C11H17N3O3S/c1-9-10(12)3-2-4-11(9)18(15,16)13-14-5-7-17-8-6-14/h2-4,13H,5-8,12H2,1H3
InChIKeyNIDXTEUSVXEHQE-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.10
Rot. Bonds3

About 3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide

3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 83012919) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide
PubChem CID83012919
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C11H17N3O3S/c1-9-10(12)3-2-4-11(9)18(15,16)13-14-5-7-17-8-6-14/h2-4,13H,5-8,12H2,1H3
InChIKeyNIDXTEUSVXEHQE-UHFFFAOYSA-N
XLogP0.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 106075836
2-fluoro-N-morpholin-4-ylbenzenesulfonamide
CID 3535200
5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide
CID 83013153
4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682540
2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005826
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzenesulfonamide
CID 107843628
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
2-methyl-3-(oxazinan-2-ylsulfonyl)aniline
CID 113375345
3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 61110211
4-(3-amino-2-methylphenyl)sulfonylpiperazine-1-sulfonamide
CID 61125660
3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83014024

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide (CID 83012919) is 3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)NN1CCOCC1.
What is the InChIKey of 3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is NIDXTEUSVXEHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-9-10(12)3-2-4-11(9)18(15,16)13-14-5-7-17-8-6-14/h2-4,13H,5-8,12H2,1H3.
What are the key properties of 3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide?
3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 83012919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).