N-ethyl-4-(methylaminomethyl)benzenesulfinamide

C10H16N2OS — CID 144925802

IUPACN-ethyl-4-(methylaminomethyl)benzenesulfinamide
SMILESCCNS(=O)c1ccc(CNC)cc1
InChIInChI=1S/C10H16N2OS/c1-3-12-14(13)10-6-4-9(5-7-10)8-11-2/h4-7,11-12H,3,8H2,1-2H3
InChIKeyDVKUWERXEWGJBV-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.04
Rot. Bonds5

About N-ethyl-4-(methylaminomethyl)benzenesulfinamide

N-ethyl-4-(methylaminomethyl)benzenesulfinamide (PubChem CID 144925802) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-ethyl-4-(methylaminomethyl)benzenesulfinamide.

Molecular Properties

Compound NameN-ethyl-4-(methylaminomethyl)benzenesulfinamide
PubChem CID144925802
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-ethyl-4-(methylaminomethyl)benzenesulfinamide
SMILESCCNS(=O)c1ccc(CNC)cc1
InChIInChI=1S/C10H16N2OS/c1-3-12-14(13)10-6-4-9(5-7-10)8-11-2/h4-7,11-12H,3,8H2,1-2H3
InChIKeyDVKUWERXEWGJBV-UHFFFAOYSA-N
XLogP1.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylaminomethyl)benzenesulfinamide?
The IUPAC name of N-ethyl-4-(methylaminomethyl)benzenesulfinamide (CID 144925802) is N-ethyl-4-(methylaminomethyl)benzenesulfinamide.
What is the SMILES notation for N-ethyl-4-(methylaminomethyl)benzenesulfinamide?
The canonical SMILES for N-ethyl-4-(methylaminomethyl)benzenesulfinamide is CCNS(=O)c1ccc(CNC)cc1.
What is the InChIKey of N-ethyl-4-(methylaminomethyl)benzenesulfinamide?
The InChIKey is DVKUWERXEWGJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-12-14(13)10-6-4-9(5-7-10)8-11-2/h4-7,11-12H,3,8H2,1-2H3.
What are the key properties of N-ethyl-4-(methylaminomethyl)benzenesulfinamide?
N-ethyl-4-(methylaminomethyl)benzenesulfinamide has a molecular weight of 212.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylaminomethyl)benzenesulfinamide is sourced from PubChem (CID 144925802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).