N-methyl-4-(methylaminomethyl)benzenesulfinamide

C9H14N2OS — CID 134550003

IUPACN-methyl-4-(methylaminomethyl)benzenesulfinamide
SMILESCNCc1ccc(S(=O)NC)cc1
InChIInChI=1S/C9H14N2OS/c1-10-7-8-3-5-9(6-4-8)13(12)11-2/h3-6,10-11H,7H2,1-2H3
InChIKeyMIUXXOMVBPYQRV-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.65
Rot. Bonds4

About N-methyl-4-(methylaminomethyl)benzenesulfinamide

N-methyl-4-(methylaminomethyl)benzenesulfinamide (PubChem CID 134550003) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)benzenesulfinamide.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)benzenesulfinamide
PubChem CID134550003
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-methyl-4-(methylaminomethyl)benzenesulfinamide
SMILESCNCc1ccc(S(=O)NC)cc1
InChIInChI=1S/C9H14N2OS/c1-10-7-8-3-5-9(6-4-8)13(12)11-2/h3-6,10-11H,7H2,1-2H3
InChIKeyMIUXXOMVBPYQRV-UHFFFAOYSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)benzenesulfinamide?
The IUPAC name of N-methyl-4-(methylaminomethyl)benzenesulfinamide (CID 134550003) is N-methyl-4-(methylaminomethyl)benzenesulfinamide.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)benzenesulfinamide?
The canonical SMILES for N-methyl-4-(methylaminomethyl)benzenesulfinamide is CNCc1ccc(S(=O)NC)cc1.
What is the InChIKey of N-methyl-4-(methylaminomethyl)benzenesulfinamide?
The InChIKey is MIUXXOMVBPYQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-10-7-8-3-5-9(6-4-8)13(12)11-2/h3-6,10-11H,7H2,1-2H3.
What are the key properties of N-methyl-4-(methylaminomethyl)benzenesulfinamide?
N-methyl-4-(methylaminomethyl)benzenesulfinamide has a molecular weight of 198.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)benzenesulfinamide is sourced from PubChem (CID 134550003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).