2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

C14H24N2O2S2 — CID 115988643

IUPAC2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C14H24N2O2S2/c1-5-15-10-13-8-6-7-9-14(13)20(17,18)16(3)12(2)11-19-4/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyPQKOTDXTVVCTKG-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.17
Rot. Bonds8

About 2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 115988643) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID115988643
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C14H24N2O2S2/c1-5-15-10-13-8-6-7-9-14(13)20(17,18)16(3)12(2)11-19-4/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyPQKOTDXTVVCTKG-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988698
5-(ethylaminomethyl)-2-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988542
5-(ethylaminomethyl)-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 115988589
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986948
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
CID 112667445
2-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 43280883
2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053747
4-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986126
N,N-dimethyl-2-[(3-phenylbutylamino)methyl]benzenesulfonamide
CID 119142078
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 115988576
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665620

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (CID 115988643) is 2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is CCNCc1ccccc1S(=O)(=O)N(C)C(C)CSC.
What is the InChIKey of 2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is PQKOTDXTVVCTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-5-15-10-13-8-6-7-9-14(13)20(17,18)16(3)12(2)11-19-4/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 115988643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).