2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide

C8H14N2O2S — CID 12698996

IUPAC2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(CS)C1=O
InChIInChI=1S/C8H14N2O2S/c9-7(11)4-10-3-1-2-6(5-13)8(10)12/h6,13H,1-5H2,(H2,9,11)
InChIKeyPEZUBLSIJXPYRZ-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.36
Rot. Bonds3

About 2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide

2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide (PubChem CID 12698996) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide
PubChem CID12698996
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(CS)C1=O
InChIInChI=1S/C8H14N2O2S/c9-7(11)4-10-3-1-2-6(5-13)8(10)12/h6,13H,1-5H2,(H2,9,11)
InChIKeyPEZUBLSIJXPYRZ-UHFFFAOYSA-N
XLogP-0.36
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide (CID 12698996) is 2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide is NC(=O)CN1CCCC(CS)C1=O.
What is the InChIKey of 2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide?
The InChIKey is PEZUBLSIJXPYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c9-7(11)4-10-3-1-2-6(5-13)8(10)12/h6,13H,1-5H2,(H2,9,11).
What are the key properties of 2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide?
2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide has a molecular weight of 202.28 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(sulfanylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 12698996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).