ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine

C11H29NOS — CID 142389411

IUPACethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine
SMILESCC.CC.CNCCSCCCOC
InChIInChI=1S/C7H17NOS.2C2H6/c1-8-4-7-10-6-3-5-9-2;2*1-2/h8H,3-7H2,1-2H3;2*1-2H3
InChIKeyXDRRPZBXIBYJNG-UHFFFAOYSA-N
MW223.43 g/mol
LogP3.03
Rot. Bonds7

About ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine

ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine (PubChem CID 142389411) has the molecular formula C11H29NOS and a molecular weight of 223.43 g/mol. Its IUPAC name is ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine.

Molecular Properties

Compound Nameethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine
PubChem CID142389411
Molecular FormulaC11H29NOS
Molecular Weight223.43 g/mol
Exact Mass223.20
IUPAC Nameethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine
SMILESCC.CC.CNCCSCCCOC
InChIInChI=1S/C7H17NOS.2C2H6/c1-8-4-7-10-6-3-5-9-2;2*1-2/h8H,3-7H2,1-2H3;2*1-2H3
InChIKeyXDRRPZBXIBYJNG-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.43
LogP ≤ 53.03
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-(3-methoxypropylsulfanyl)-N-methylethanamine?
The IUPAC name of ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine (CID 142389411) is ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine.
What is the SMILES notation for ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine?
The canonical SMILES for ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine is CC.CC.CNCCSCCCOC.
What is the InChIKey of ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine?
The InChIKey is XDRRPZBXIBYJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS.2C2H6/c1-8-4-7-10-6-3-5-9-2;2*1-2/h8H,3-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine?
ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine has a molecular weight of 223.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methoxypropylsulfanyl)-N-methylethanamine is sourced from PubChem (CID 142389411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).