2-(3-methoxypropylsulfinyl)-N-methylethanamine

C7H17NO2S — CID 64658415

IUPAC2-(3-methoxypropylsulfinyl)-N-methylethanamine
SMILESCNCCS(=O)CCCOC
InChIInChI=1S/C7H17NO2S/c1-8-4-7-11(9)6-3-5-10-2/h8H,3-7H2,1-2H3
InChIKeyNYTWEGICCKFCPA-UHFFFAOYSA-N
MW179.28 g/mol
LogP-0.01
Rot. Bonds7

About 2-(3-methoxypropylsulfinyl)-N-methylethanamine

2-(3-methoxypropylsulfinyl)-N-methylethanamine (PubChem CID 64658415) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-methoxypropylsulfinyl)-N-methylethanamine
PubChem CID64658415
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name2-(3-methoxypropylsulfinyl)-N-methylethanamine
SMILESCNCCS(=O)CCCOC
InChIInChI=1S/C7H17NO2S/c1-8-4-7-11(9)6-3-5-10-2/h8H,3-7H2,1-2H3
InChIKeyNYTWEGICCKFCPA-UHFFFAOYSA-N
XLogP-0.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 5-0.01
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 2-(3-methoxypropylsulfinyl)-N-methylethanamine?
The IUPAC name of 2-(3-methoxypropylsulfinyl)-N-methylethanamine (CID 64658415) is 2-(3-methoxypropylsulfinyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-methoxypropylsulfinyl)-N-methylethanamine?
The canonical SMILES for 2-(3-methoxypropylsulfinyl)-N-methylethanamine is CNCCS(=O)CCCOC.
What is the InChIKey of 2-(3-methoxypropylsulfinyl)-N-methylethanamine?
The InChIKey is NYTWEGICCKFCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-8-4-7-11(9)6-3-5-10-2/h8H,3-7H2,1-2H3.
What are the key properties of 2-(3-methoxypropylsulfinyl)-N-methylethanamine?
2-(3-methoxypropylsulfinyl)-N-methylethanamine has a molecular weight of 179.28 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfinyl)-N-methylethanamine is sourced from PubChem (CID 64658415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).