2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

C13H22N2O2S2 — CID 106064886

IUPAC2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NCC(C)CSC
InChIInChI=1S/C13H22N2O2S2/c1-11(10-18-3)8-15-19(16,17)13-7-5-4-6-12(13)9-14-2/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyWOPXCAMAAWVNRL-UHFFFAOYSA-N
MW302.47 g/mol
LogP1.68
Rot. Bonds8

About 2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 106064886) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID106064886
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NCC(C)CSC
InChIInChI=1S/C13H22N2O2S2/c1-11(10-18-3)8-15-19(16,17)13-7-5-4-6-12(13)9-14-2/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyWOPXCAMAAWVNRL-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081
2-bromo-5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064808
2-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093329
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63963966
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 106546061
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
N-(1-methylsulfanylpropan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106079555
N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409112
3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-2-nitrobenzenesulfonamide
CID 115624248
5-fluoro-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 102920739
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106064892
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
CID 114141371

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (CID 106064886) is 2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is CNCc1ccccc1S(=O)(=O)NCC(C)CSC.
What is the InChIKey of 2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is WOPXCAMAAWVNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-11(10-18-3)8-15-19(16,17)13-7-5-4-6-12(13)9-14-2/h4-7,11,14-15H,8-10H2,1-3H3.
What are the key properties of 2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 302.47 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 106064886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).