3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide

C10H16N2O2S — CID 43263056

IUPAC3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C10H16N2O2S/c1-4-12(3)15(13,14)10-6-8(2)5-9(11)7-10/h5-7H,4,11H2,1-3H3
InChIKeyBPIDNINDGHAQFH-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.22
Rot. Bonds3

About 3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide

3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide (PubChem CID 43263056) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide
PubChem CID43263056
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C10H16N2O2S/c1-4-12(3)15(13,14)10-6-8(2)5-9(11)7-10/h5-7H,4,11H2,1-3H3
InChIKeyBPIDNINDGHAQFH-UHFFFAOYSA-N
XLogP1.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-cyanopropyl)-N,5-dimethylbenzenesulfonamide
CID 61138827
3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide
CID 43540763
3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide
CID 43264620
2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125979
3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 43256607
3-amino-N,5-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64512724
3-amino-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzenesulfonamide
CID 64512154
2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 61115700
2-[(3-amino-5-methylphenyl)sulfonyl-butylamino]acetamide
CID 61107191
potassium 3-amino-5-methylbenzenesulfonate
CID 101303620
3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide
CID 55001335
2-[(3-amino-5-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115052

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide (CID 43263056) is 3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide is CCN(C)S(=O)(=O)c1cc(C)cc(N)c1.
What is the InChIKey of 3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide?
The InChIKey is BPIDNINDGHAQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-12(3)15(13,14)10-6-8(2)5-9(11)7-10/h5-7H,4,11H2,1-3H3.
What are the key properties of 3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide?
3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43263056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).