3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide

C12H20N2O2S2 — CID 112656524

IUPAC3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1c(C)ccc(N)c1C
InChIInChI=1S/C12H20N2O2S2/c1-9-5-6-11(13)10(2)12(9)18(15,16)14(3)7-8-17-4/h5-6H,7-8,13H2,1-4H3
InChIKeyVSQRNOFMXHFXBE-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.87
Rot. Bonds5

About 3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide

3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 112656524) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID112656524
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1c(C)ccc(N)c1C
InChIInChI=1S/C12H20N2O2S2/c1-9-5-6-11(13)10(2)12(9)18(15,16)14(3)7-8-17-4/h5-6H,7-8,13H2,1-4H3
InChIKeyVSQRNOFMXHFXBE-UHFFFAOYSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,2-dimethylbenzene-1-sulfonamide
CID 235521
5-Amino-2,N,N-trimethyl-benzenesulfonamide
CID 235529
2-amino-N,N-dimethyltoluene-4-sulphonamide
CID 235528
3-(methanesulfonamido)-2,4-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 2972740
5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide
CID 3400251
N-(2,6-dimethyl-3-piperidin-1-ylsulfonylphenyl)methanesulfonamide
CID 2973563
5-amino-N,N-diethyl-2-methylbenzene-1-sulfonamide
CID 3643281
3-(Azepane-1-sulfonyl)-4-methylaniline
CID 3726934
3-amino-N,N-diethyl-4-methylbenzene-1-sulfonamide
CID 4992115
3-amino-N-tert-butyl-2-methylbenzene-1-sulfonamide
CID 29541590
N-cyclohexyl-2,4-dimethyl-3-[(methylsulfonyl)amino]benzenesulfonamide
CID 2973665
3-amino-N-(2,4-dimethylphenyl)-4-methylbenzene-1-sulfonamide
CID 3851038

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 112656524) is 3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCN(C)S(=O)(=O)c1c(C)ccc(N)c1C.
What is the InChIKey of 3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is VSQRNOFMXHFXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-5-6-11(13)10(2)12(9)18(15,16)14(3)7-8-17-4/h5-6H,7-8,13H2,1-4H3.
What are the key properties of 3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 112656524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).