ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane

C21H50N2OS — CID 143202497

IUPACethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane
SMILESCC.CC.CC.CCC.CNC(=O)CCC1CCCN(CCSC)C1
InChIInChI=1S/C12H24N2OS.C3H8.3C2H6/c1-13-12(15)6-5-11-4-3-7-14(10-11)8-9-16-2;1-3-2;3*1-2/h11H,3-10H2,1-2H3,(H,13,15);3H2,1-2H3;3*1-2H3
InChIKeyHCNODNHLJQVKPW-UHFFFAOYSA-N
MW378.71 g/mol
LogP6.08
Rot. Bonds6

About ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane

ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane (PubChem CID 143202497) has the molecular formula C21H50N2OS and a molecular weight of 378.71 g/mol. Its IUPAC name is ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane.

Molecular Properties

Compound Nameethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane
PubChem CID143202497
Molecular FormulaC21H50N2OS
Molecular Weight378.71 g/mol
Exact Mass378.36
IUPAC Nameethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane
SMILESCC.CC.CC.CCC.CNC(=O)CCC1CCCN(CCSC)C1
InChIInChI=1S/C12H24N2OS.C3H8.3C2H6/c1-13-12(15)6-5-11-4-3-7-14(10-11)8-9-16-2;1-3-2;3*1-2/h11H,3-10H2,1-2H3,(H,13,15);3H2,1-2H3;3*1-2H3
InChIKeyHCNODNHLJQVKPW-UHFFFAOYSA-N
XLogP6.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.71
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane?
The IUPAC name of ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane (CID 143202497) is ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane.
What is the SMILES notation for ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane?
The canonical SMILES for ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane is CC.CC.CC.CCC.CNC(=O)CCC1CCCN(CCSC)C1.
What is the InChIKey of ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane?
The InChIKey is HCNODNHLJQVKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS.C3H8.3C2H6/c1-13-12(15)6-5-11-4-3-7-14(10-11)8-9-16-2;1-3-2;3*1-2/h11H,3-10H2,1-2H3,(H,13,15);3H2,1-2H3;3*1-2H3.
What are the key properties of ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane?
ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane has a molecular weight of 378.71 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-[1-(2-methylsulfanylethyl)piperidin-3-yl]propanamide;propane is sourced from PubChem (CID 143202497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).