N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

C14H24N2O2S2 — CID 115988698

IUPACN,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)N(C)C(C)CSC)c1C
InChIInChI=1S/C14H24N2O2S2/c1-11(10-19-5)16(4)20(17,18)14-8-6-7-13(9-15-3)12(14)2/h6-8,11,15H,9-10H2,1-5H3
InChIKeyYXABIIMMAIINKM-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.09
Rot. Bonds7

About N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 115988698) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID115988698
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)N(C)C(C)CSC)c1C
InChIInChI=1S/C14H24N2O2S2/c1-11(10-19-5)16(4)20(17,18)14-8-6-7-13(9-15-3)12(14)2/h6-8,11,15H,9-10H2,1-5H3
InChIKeyYXABIIMMAIINKM-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988643
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
CID 112667445
2,4-difluoro-N-methyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988559
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988551
2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030057
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081
N-(4-ethylsulfanylbutan-2-yl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106084684
N-butan-2-yl-5-chloro-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
CID 82884539
2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 106017053
2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064886
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986948
3-[(cyclopropylamino)methyl]-2-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079650

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (CID 115988698) is N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)N(C)C(C)CSC)c1C.
What is the InChIKey of N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is YXABIIMMAIINKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-11(10-19-5)16(4)20(17,18)14-8-6-7-13(9-15-3)12(14)2/h6-8,11,15H,9-10H2,1-5H3.
What are the key properties of N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 115988698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).