5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide

C12H26N2O2S — CID 54985349

IUPAC5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide
SMILESCOCCCN(CCCCC(N)=S)CCOC
InChIInChI=1S/C12H26N2O2S/c1-15-10-5-8-14(9-11-16-2)7-4-3-6-12(13)17/h3-11H2,1-2H3,(H2,13,17)
InChIKeyMYXIHCBOKBALRX-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.43
Rot. Bonds12

About 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide

5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide (PubChem CID 54985349) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide.

Molecular Properties

Compound Name5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide
PubChem CID54985349
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide
SMILESCOCCCN(CCCCC(N)=S)CCOC
InChIInChI=1S/C12H26N2O2S/c1-15-10-5-8-14(9-11-16-2)7-4-3-6-12(13)17/h3-11H2,1-2H3,(H2,13,17)
InChIKeyMYXIHCBOKBALRX-UHFFFAOYSA-N
XLogP1.43
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide?
The IUPAC name of 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide (CID 54985349) is 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide.
What is the SMILES notation for 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide?
The canonical SMILES for 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide is COCCCN(CCCCC(N)=S)CCOC.
What is the InChIKey of 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide?
The InChIKey is MYXIHCBOKBALRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-15-10-5-8-14(9-11-16-2)7-4-3-6-12(13)17/h3-11H2,1-2H3,(H2,13,17).
What are the key properties of 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide?
5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide has a molecular weight of 262.42 g/mol, XLogP of 1.43, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(3-methoxypropyl)amino]pentanethioamide is sourced from PubChem (CID 54985349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).