3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide

C11H18N2O2S2 — CID 112656600

IUPAC3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C11H18N2O2S2/c1-9-4-5-10(8-11(9)12)17(14,15)13(2)6-7-16-3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyNLVASGTWYTUALP-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.56
Rot. Bonds5

About 3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide

3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 112656600) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID112656600
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C11H18N2O2S2/c1-9-4-5-10(8-11(9)12)17(14,15)13(2)6-7-16-3/h4-5,8H,6-7,12H2,1-3H3
InChIKeyNLVASGTWYTUALP-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.56
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

3-amino-N-methyl-N-(2-methylsulfanylethyl)-4-nitrobenzenesulfonamide
CID 112664013
3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656524
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656554
3-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667293
3-amino-N,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295498
3-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667066
N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 114263597
2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115985763
3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587375
1-N-methyl-1-N-(2-methylsulfanylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 112656763
2-[(3-amino-4-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125788

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 112656600) is 3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCN(C)S(=O)(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is NLVASGTWYTUALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9-4-5-10(8-11(9)12)17(14,15)13(2)6-7-16-3/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 112656600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).