N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine

C7H17NO2S2 — CID 58732075

IUPACN,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
SMILESCN(C)CCSCCS(C)(=O)=O
InChIInChI=1S/C7H17NO2S2/c1-8(2)4-5-11-6-7-12(3,9)10/h4-7H2,1-3H3
InChIKeyGNOCHFSGWZBGSL-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.33
Rot. Bonds6

About N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine

N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine (PubChem CID 58732075) has the molecular formula C7H17NO2S2 and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
PubChem CID58732075
Molecular FormulaC7H17NO2S2
Molecular Weight211.35 g/mol
Exact Mass211.07
IUPAC NameN,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
SMILESCN(C)CCSCCS(C)(=O)=O
InChIInChI=1S/C7H17NO2S2/c1-8(2)4-5-11-6-7-12(3,9)10/h4-7H2,1-3H3
InChIKeyGNOCHFSGWZBGSL-UHFFFAOYSA-N
XLogP0.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine (CID 58732075) is N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine is CN(C)CCSCCS(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The InChIKey is GNOCHFSGWZBGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S2/c1-8(2)4-5-11-6-7-12(3,9)10/h4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 0.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine is sourced from PubChem (CID 58732075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).