2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

C12H20N2O2S2 — CID 114142081

IUPAC2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC(C)CSC
InChIInChI=1S/C12H20N2O2S2/c1-10(9-17-3)14-18(15,16)12-7-5-4-6-11(12)8-13-2/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyPAGJBODZODXVFO-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.44
Rot. Bonds7

About 2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 114142081) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID114142081
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC(C)CSC
InChIInChI=1S/C12H20N2O2S2/c1-10(9-17-3)14-18(15,16)12-7-5-4-6-11(12)8-13-2/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyPAGJBODZODXVFO-UHFFFAOYSA-N
XLogP1.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfanylpropan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106079555
2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064886
2-(methylaminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 106008883
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide
CID 106052029
N-(1-cyclopentylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106066120
N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106084917
N-(1-ethylsulfanylpropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
CID 106083415
2-chloro-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079618
3-[(cyclopropylamino)methyl]-2-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079650
2-methoxy-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079747
N-(4-ethylsulfanylbutan-2-yl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106084684

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (CID 114142081) is 2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is CNCc1ccccc1S(=O)(=O)NC(C)CSC.
What is the InChIKey of 2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is PAGJBODZODXVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-10(9-17-3)14-18(15,16)12-7-5-4-6-11(12)8-13-2/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of 2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 114142081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).