N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide

C10H16N2OS — CID 134550277

IUPACN,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide
SMILESCNCc1ccc(S(=O)N(C)C)cc1
InChIInChI=1S/C10H16N2OS/c1-11-8-9-4-6-10(7-5-9)14(13)12(2)3/h4-7,11H,8H2,1-3H3
InChIKeyMTTRZLIGQHTELY-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.99
Rot. Bonds4

About N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide

N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide (PubChem CID 134550277) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide
PubChem CID134550277
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide
SMILESCNCc1ccc(S(=O)N(C)C)cc1
InChIInChI=1S/C10H16N2OS/c1-11-8-9-4-6-10(7-5-9)14(13)12(2)3/h4-7,11H,8H2,1-3H3
InChIKeyMTTRZLIGQHTELY-UHFFFAOYSA-N
XLogP0.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide?
The IUPAC name of N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide (CID 134550277) is N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide.
What is the SMILES notation for N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide?
The canonical SMILES for N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide is CNCc1ccc(S(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide?
The InChIKey is MTTRZLIGQHTELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-11-8-9-4-6-10(7-5-9)14(13)12(2)3/h4-7,11H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide?
N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide has a molecular weight of 212.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(methylaminomethyl)benzenesulfinamide is sourced from PubChem (CID 134550277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).