ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine

C9H23NOS — CID 145053739

IUPACethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine
SMILESCC.CCOCCSCCNC
InChIInChI=1S/C7H17NOS.C2H6/c1-3-9-5-7-10-6-4-8-2;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyKQFKWSBMBMWSHK-UHFFFAOYSA-N
MW193.36 g/mol
LogP2.00
Rot. Bonds7

About ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine

ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine (PubChem CID 145053739) has the molecular formula C9H23NOS and a molecular weight of 193.36 g/mol. Its IUPAC name is ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine.

Molecular Properties

Compound Nameethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine
PubChem CID145053739
Molecular FormulaC9H23NOS
Molecular Weight193.36 g/mol
Exact Mass193.15
IUPAC Nameethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine
SMILESCC.CCOCCSCCNC
InChIInChI=1S/C7H17NOS.C2H6/c1-3-9-5-7-10-6-4-8-2;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyKQFKWSBMBMWSHK-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.36
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine?
The IUPAC name of ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine (CID 145053739) is ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine.
What is the SMILES notation for ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine?
The canonical SMILES for ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine is CC.CCOCCSCCNC.
What is the InChIKey of ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine?
The InChIKey is KQFKWSBMBMWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS.C2H6/c1-3-9-5-7-10-6-4-8-2;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine?
ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine has a molecular weight of 193.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-ethoxyethylsulfanyl)-N-methylethanamine is sourced from PubChem (CID 145053739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).