N-methyl-2-[(S)-methylsulfinyl]ethanamine

C4H11NOS — CID 94830733

IUPACN-methyl-2-[(S)-methylsulfinyl]ethanamine
SMILESCNCC[S@](C)=O
InChIInChI=1S/C4H11NOS/c1-5-3-4-7(2)6/h5H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyPCMIWUMCWPXGNF-ZETCQYMHSA-N
MW121.20 g/mol
LogP-0.42
Rot. Bonds3

About N-methyl-2-[(S)-methylsulfinyl]ethanamine

N-methyl-2-[(S)-methylsulfinyl]ethanamine (PubChem CID 94830733) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is N-methyl-2-[(S)-methylsulfinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(S)-methylsulfinyl]ethanamine
PubChem CID94830733
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC NameN-methyl-2-[(S)-methylsulfinyl]ethanamine
SMILESCNCC[S@](C)=O
InChIInChI=1S/C4H11NOS/c1-5-3-4-7(2)6/h5H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyPCMIWUMCWPXGNF-ZETCQYMHSA-N
XLogP-0.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(S)-methylsulfinyl]ethanamine?
The IUPAC name of N-methyl-2-[(S)-methylsulfinyl]ethanamine (CID 94830733) is N-methyl-2-[(S)-methylsulfinyl]ethanamine.
What is the SMILES notation for N-methyl-2-[(S)-methylsulfinyl]ethanamine?
The canonical SMILES for N-methyl-2-[(S)-methylsulfinyl]ethanamine is CNCC[S@](C)=O.
What is the InChIKey of N-methyl-2-[(S)-methylsulfinyl]ethanamine?
The InChIKey is PCMIWUMCWPXGNF-ZETCQYMHSA-N. The full InChI is InChI=1S/C4H11NOS/c1-5-3-4-7(2)6/h5H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of N-methyl-2-[(S)-methylsulfinyl]ethanamine?
N-methyl-2-[(S)-methylsulfinyl]ethanamine has a molecular weight of 121.20 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(S)-methylsulfinyl]ethanamine is sourced from PubChem (CID 94830733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).