2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

C12H20N2O2S — CID 43452325

IUPAC2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C12H20N2O2S/c1-5-12(3,4)14-17(15,16)11-9(2)7-6-8-10(11)13/h6-8,14H,5,13H2,1-4H3
InChIKeyNWPDPIGSRLDVMA-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.04
Rot. Bonds4

About 2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 43452325) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID43452325
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C12H20N2O2S/c1-5-12(3,4)14-17(15,16)11-9(2)7-6-8-10(11)13/h6-8,14H,5,13H2,1-4H3
InChIKeyNWPDPIGSRLDVMA-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.04
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

2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 64549084
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 66168995
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-N',N',6-trimethylbenzenesulfonohydrazide
CID 83013451
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 16790437
2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide
CID 106899187
2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096
2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526302
3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 61125157
4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43256860

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 43452325) is 2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is NWPDPIGSRLDVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-12(3,4)14-17(15,16)11-9(2)7-6-8-10(11)13/h6-8,14H,5,13H2,1-4H3.
What are the key properties of 2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43452325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).