3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide

C14H27N3OS — CID 54987524

IUPAC3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)C(C)C(=O)N1CCCCC1
InChIInChI=1S/C14H27N3OS/c1-4-16(10-11(2)13(15)19)12(3)14(18)17-8-6-5-7-9-17/h11-12H,4-10H2,1-3H3,(H2,15,19)
InChIKeyFQAUIJIPHASXLU-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.63
Rot. Bonds6

About 3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide

3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide (PubChem CID 54987524) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide
PubChem CID54987524
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)C(C)C(=O)N1CCCCC1
InChIInChI=1S/C14H27N3OS/c1-4-16(10-11(2)13(15)19)12(3)14(18)17-8-6-5-7-9-17/h11-12H,4-10H2,1-3H3,(H2,15,19)
InChIKeyFQAUIJIPHASXLU-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.63
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 3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide (CID 54987524) is 3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide is CCN(CC(C)C(N)=S)C(C)C(=O)N1CCCCC1.
What is the InChIKey of 3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide?
The InChIKey is FQAUIJIPHASXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-4-16(10-11(2)13(15)19)12(3)14(18)17-8-6-5-7-9-17/h11-12H,4-10H2,1-3H3,(H2,15,19).
What are the key properties of 3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide?
3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide has a molecular weight of 285.46 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 54987524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).