2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide

C13H25N3OS — CID 54991975

IUPAC2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide
SMILESCC(CN(C)C(C)C(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C13H25N3OS/c1-10(12(14)18)9-15(3)11(2)13(17)16-7-5-4-6-8-16/h10-11H,4-9H2,1-3H3,(H2,14,18)
InChIKeyQNEUKMJDNKFNGW-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.24
Rot. Bonds5

About 2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide

2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide (PubChem CID 54991975) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide.

Molecular Properties

Compound Name2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide
PubChem CID54991975
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide
SMILESCC(CN(C)C(C)C(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C13H25N3OS/c1-10(12(14)18)9-15(3)11(2)13(17)16-7-5-4-6-8-16/h10-11H,4-9H2,1-3H3,(H2,14,18)
InChIKeyQNEUKMJDNKFNGW-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide?
The IUPAC name of 2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide (CID 54991975) is 2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide.
What is the SMILES notation for 2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide?
The canonical SMILES for 2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide is CC(CN(C)C(C)C(=O)N1CCCCC1)C(N)=S.
What is the InChIKey of 2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide?
The InChIKey is QNEUKMJDNKFNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-10(12(14)18)9-15(3)11(2)13(17)16-7-5-4-6-8-16/h10-11H,4-9H2,1-3H3,(H2,14,18).
What are the key properties of 2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide?
2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide has a molecular weight of 271.43 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]propanethioamide is sourced from PubChem (CID 54991975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).