3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

C13H22N2O2S2 — CID 71969827

IUPAC3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCSCC(C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1
InChIInChI=1S/C13H22N2O2S2/c1-10-6-7-12(8-13(10)15(3)4)19(16,17)14-11(2)9-18-5/h6-8,11,14H,9H2,1-5H3
InChIKeyOOBGHXLNZDHULU-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.09
Rot. Bonds6

About 3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 71969827) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID71969827
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCSCC(C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1
InChIInChI=1S/C13H22N2O2S2/c1-10-6-7-12(8-13(10)15(3)4)19(16,17)14-11(2)9-18-5/h6-8,11,14H,9H2,1-5H3
InChIKeyOOBGHXLNZDHULU-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (CID 71969827) is 3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is CSCC(C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is OOBGHXLNZDHULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-10-6-7-12(8-13(10)15(3)4)19(16,17)14-11(2)9-18-5/h6-8,11,14H,9H2,1-5H3.
What are the key properties of 3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 71969827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).