3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide

C12H20N2O2S — CID 43257149

IUPAC3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-8(2)14(5)17(15,16)12-9(3)6-7-11(13)10(12)4/h6-8H,13H2,1-5H3
InChIKeyTYPNUEPBFBEYFC-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.91
Rot. Bonds3

About 3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide

3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 43257149) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide
PubChem CID43257149
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H20N2O2S/c1-8(2)14(5)17(15,16)12-9(3)6-7-11(13)10(12)4/h6-8H,13H2,1-5H3
InChIKeyTYPNUEPBFBEYFC-UHFFFAOYSA-N
XLogP1.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.91
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-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide
CID 61114136
3-amino-N-[2-(dimethylamino)ethyl]-N,2,6-trimethylbenzenesulfonamide
CID 63693737
3-amino-N,2,6-trimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849889
3-amino-N,2,4-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 114240213
3-amino-N-ethyl-2,6-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79477818
3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656524
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917
3-amino-N-(2-cyanoethyl)-N,2,6-trimethylbenzenesulfonamide
CID 43258516
3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 62001660
3-amino-N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 93081295
3-amino-N-(3-hydroxyphenyl)-N,2,6-trimethylbenzenesulfonamide
CID 107733521
3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide
CID 61105127

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide (CID 43257149) is 3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is TYPNUEPBFBEYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)14(5)17(15,16)12-9(3)6-7-11(13)10(12)4/h6-8H,13H2,1-5H3.
What are the key properties of 3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide?
3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43257149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).