2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine

C8H19NO2S2 — CID 106723762

IUPAC2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine
SMILESCCCS(=O)(=O)CCNCCSC
InChIInChI=1S/C8H19NO2S2/c1-3-7-13(10,11)8-5-9-4-6-12-2/h9H,3-8H2,1-2H3
InChIKeyFFEIKRBZNMBRRE-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.76
Rot. Bonds8

About 2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine

2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine (PubChem CID 106723762) has the molecular formula C8H19NO2S2 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine
PubChem CID106723762
Molecular FormulaC8H19NO2S2
Molecular Weight225.38 g/mol
Exact Mass225.09
IUPAC Name2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine
SMILESCCCS(=O)(=O)CCNCCSC
InChIInChI=1S/C8H19NO2S2/c1-3-7-13(10,11)8-5-9-4-6-12-2/h9H,3-8H2,1-2H3
InChIKeyFFEIKRBZNMBRRE-UHFFFAOYSA-N
XLogP0.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 50.76
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

6-methylsulfanyl-N-(2-propylsulfonylethyl)hexan-1-amine
CID 114125695
N-(2-ethylsulfonylethyl)-3-methylsulfanylpropan-1-amine
CID 63964934
3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol
CID 106310342
N-(2-chloroethyl)-2-propylsulfonylethanamine
CID 106730959
2-methyl-3-methylsulfanyl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106723768
ethane;N-(2-methylsulfanylethyl)propan-1-amine
CID 144962889
N-(2-methylsulfanylethyl)-3-methylsulfonylpropan-1-amine
CID 58823063
N-[2-(2-propylsulfonylethylamino)ethyl]acetamide
CID 106723232
2-cyclopropyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723908
1-propylsulfonylpropane
CID 11709
N-(2-propylsulfonylethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106723752
ethyl 3-(2-propylsulfonylethylamino)propanoate
CID 106723560

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine?
The IUPAC name of 2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine (CID 106723762) is 2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine.
What is the SMILES notation for 2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine?
The canonical SMILES for 2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine is CCCS(=O)(=O)CCNCCSC.
What is the InChIKey of 2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine?
The InChIKey is FFEIKRBZNMBRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S2/c1-3-7-13(10,11)8-5-9-4-6-12-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine?
2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine has a molecular weight of 225.38 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine is sourced from PubChem (CID 106723762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).