N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide

C11H18N2O2S2 — CID 114263597

IUPACN-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCNc1cccc(S(=O)(=O)N(C)CCSC)c1
InChIInChI=1S/C11H18N2O2S2/c1-12-10-5-4-6-11(9-10)17(14,15)13(2)7-8-16-3/h4-6,9,12H,7-8H2,1-3H3
InChIKeyOKWJFYRGTZSNTA-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.71
Rot. Bonds6

About N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide

N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 114263597) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID114263597
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCNc1cccc(S(=O)(=O)N(C)CCSC)c1
InChIInChI=1S/C11H18N2O2S2/c1-12-10-5-4-6-11(9-10)17(14,15)13(2)7-8-16-3/h4-6,9,12H,7-8H2,1-3H3
InChIKeyOKWJFYRGTZSNTA-UHFFFAOYSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667066
N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115987134
N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide
CID 115573675
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115986921
3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656600
2-chloro-N-methyl-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115985763
N-methyl-2-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-4-sulfonamide
CID 114238260
3-[(3-hydroxyphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106916938
4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988407
3-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667293
4-chloro-3-(ethylaminomethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988345
3-amino-N-methyl-N-(2-methylsulfanylethyl)-4-nitrobenzenesulfonamide
CID 112664013

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 114263597) is N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide is CNc1cccc(S(=O)(=O)N(C)CCSC)c1.
What is the InChIKey of N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is OKWJFYRGTZSNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-12-10-5-4-6-11(9-10)17(14,15)13(2)7-8-16-3/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide?
N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 114263597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).