3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide

C14H24N2O2S — CID 106503730

IUPAC3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C14H24N2O2S/c1-8(2)12(6)16-19(17,18)14-10(4)9(3)7-13(15)11(14)5/h7-8,12,16H,15H2,1-6H3
InChIKeyYOBJSGGCZBVHQC-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide

3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106503730) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID106503730
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C14H24N2O2S/c1-8(2)12(6)16-19(17,18)14-10(4)9(3)7-13(15)11(14)5/h7-8,12,16H,15H2,1-6H3
InChIKeyYOBJSGGCZBVHQC-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43258845
3-amino-N-(1,3-dihydroxypropan-2-yl)-2,5,6-trimethylbenzenesulfonamide
CID 106505014
3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide
CID 106505416
3-amino-2,5,6-trimethyl-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106223613
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
1-(3-amino-2,5,6-trimethylphenyl)sulfonyl-3-propan-2-ylurea
CID 106505453
3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106503553
3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 106504779
3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide
CID 106503609
3-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,5,6-trimethylbenzenesulfonamide
CID 106505256
2-[(3-amino-2,5,6-trimethylphenyl)sulfonylamino]ethylurea
CID 106505300
3-bromo-2,5,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 66486092

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 106503730) is 3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NC(C)C(C)C)c1C.
What is the InChIKey of 3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is YOBJSGGCZBVHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-8(2)12(6)16-19(17,18)14-10(4)9(3)7-13(15)11(14)5/h7-8,12,16H,15H2,1-6H3.
What are the key properties of 3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106503730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).