3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide

C16H30N2O2S — CID 56786143

IUPAC3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
SMILESCCSCCC(=O)NCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C16H30N2O2S/c1-2-21-13-6-15(19)17-14-16(7-11-20-12-8-16)18-9-4-3-5-10-18/h2-14H2,1H3,(H,17,19)
InChIKeyVCESDCMIJQCWJV-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.28
Rot. Bonds7

About 3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide

3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide (PubChem CID 56786143) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
PubChem CID56786143
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
SMILESCCSCCC(=O)NCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C16H30N2O2S/c1-2-21-13-6-15(19)17-14-16(7-11-20-12-8-16)18-9-4-3-5-10-18/h2-14H2,1H3,(H,17,19)
InChIKeyVCESDCMIJQCWJV-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The IUPAC name of 3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide (CID 56786143) is 3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide is CCSCCC(=O)NCC1(N2CCCCC2)CCOCC1.
What is the InChIKey of 3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The InChIKey is VCESDCMIJQCWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-2-21-13-6-15(19)17-14-16(7-11-20-12-8-16)18-9-4-3-5-10-18/h2-14H2,1H3,(H,17,19).
What are the key properties of 3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide has a molecular weight of 314.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 56786143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).