2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine

C7H17NOS2 — CID 104668633

IUPAC2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine
SMILESCCSCCNCCS(C)=O
InChIInChI=1S/C7H17NOS2/c1-3-10-6-4-8-5-7-11(2)9/h8H,3-7H2,1-2H3
InChIKeyFMUNKWJLPVGHIK-UHFFFAOYSA-N
MW195.35 g/mol
LogP0.71
Rot. Bonds7

About 2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine

2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine (PubChem CID 104668633) has the molecular formula C7H17NOS2 and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine
PubChem CID104668633
Molecular FormulaC7H17NOS2
Molecular Weight195.35 g/mol
Exact Mass195.08
IUPAC Name2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine
SMILESCCSCCNCCS(C)=O
InChIInChI=1S/C7H17NOS2/c1-3-10-6-4-8-5-7-11(2)9/h8H,3-7H2,1-2H3
InChIKeyFMUNKWJLPVGHIK-UHFFFAOYSA-N
XLogP0.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793
N-(2-ethylsulfanylethyl)hexan-1-amine
CID 62578167
6-(2-ethylsulfanylethylamino)hexan-1-ol
CID 104668755
N-(2-ethylsulfanylethyl)pent-3-yn-1-amine
CID 116643789
2-ethylsulfanyl-N-methylethanamine
CID 18683899
N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine
CID 104669061
N-(cyclopropylmethyl)-2-methylsulfinylethanamine
CID 115632660
N-(cyclopropylmethyl)-2-ethylsulfanylethanamine
CID 62578386
(2R)-1-(2-methylsulfinylethylamino)propan-2-ol
CID 106932556
2-(2-methylsulfinylethylamino)ethanesulfonamide
CID 114385199

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine?
The IUPAC name of 2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine (CID 104668633) is 2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine is CCSCCNCCS(C)=O.
What is the InChIKey of 2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine?
The InChIKey is FMUNKWJLPVGHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS2/c1-3-10-6-4-8-5-7-11(2)9/h8H,3-7H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine?
2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine has a molecular weight of 195.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine is sourced from PubChem (CID 104668633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).