N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine

C7H17NO2S2 — CID 63658880

IUPACN-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
SMILESCCNCCSCCS(C)(=O)=O
InChIInChI=1S/C7H17NO2S2/c1-3-8-4-5-11-6-7-12(2,9)10/h8H,3-7H2,1-2H3
InChIKeyLDCWAYKZNJJVPM-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.37
Rot. Bonds7

About N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine

N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine (PubChem CID 63658880) has the molecular formula C7H17NO2S2 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
PubChem CID63658880
Molecular FormulaC7H17NO2S2
Molecular Weight211.35 g/mol
Exact Mass211.07
IUPAC NameN-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
SMILESCCNCCSCCS(C)(=O)=O
InChIInChI=1S/C7H17NO2S2/c1-3-8-4-5-11-6-7-12(2,9)10/h8H,3-7H2,1-2H3
InChIKeyLDCWAYKZNJJVPM-UHFFFAOYSA-N
XLogP0.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine
CID 81023264
N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine
CID 63658882
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
1,1-diethoxy-3-(2-methylsulfonylethylsulfanyl)propane
CID 63659409
6-(2-methylsulfonylethylsulfanyl)hexan-1-ol
CID 103736336
N-(2-methylsulfanylethyl)-3-methylsulfonylpropan-1-amine
CID 58823063
2-(ethylamino)-2-methyl-3-(2-methylsulfonylethylsulfanyl)propanenitrile
CID 63659246
3,3-dimethyl-1-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
CID 64611891
3-bromo-N-[2-(2-methylsulfonylethylsulfanyl)ethyl]aniline
CID 63658722
3-(2-methylsulfonylethylsulfanyl)prop-1-yne
CID 63658323
2-(2-methylsulfonylethylsulfanyl)acetonitrile
CID 63658665
N-(2-hydroxyethyl)-2-(2-methylsulfonylethylsulfanyl)acetamide
CID 63658127

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine (CID 63658880) is N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine is CCNCCSCCS(C)(=O)=O.
What is the InChIKey of N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
The InChIKey is LDCWAYKZNJJVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S2/c1-3-8-4-5-11-6-7-12(2,9)10/h8H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine?
N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine is sourced from PubChem (CID 63658880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).