(1-acetylpiperidin-4-yl)sulfanylformic acid

C8H13NO3S — CID 57280339

IUPAC(1-acetylpiperidin-4-yl)sulfanylformic acid
SMILESCC(=O)N1CCC(SC(=O)O)CC1
InChIInChI=1S/C8H13NO3S/c1-6(10)9-4-2-7(3-5-9)13-8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKeyOFBDKHBFRTWBJN-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.41
Rot. Bonds1

About (1-acetylpiperidin-4-yl)sulfanylformic acid

(1-acetylpiperidin-4-yl)sulfanylformic acid (PubChem CID 57280339) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl)sulfanylformic acid.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl)sulfanylformic acid
PubChem CID57280339
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name(1-acetylpiperidin-4-yl)sulfanylformic acid
SMILESCC(=O)N1CCC(SC(=O)O)CC1
InChIInChI=1S/C8H13NO3S/c1-6(10)9-4-2-7(3-5-9)13-8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKeyOFBDKHBFRTWBJN-UHFFFAOYSA-N
XLogP1.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-acetylpiperidin-4-yl)sulfanylformic acid 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 (1-acetylpiperidin-4-yl)sulfanylformic acid?
The IUPAC name of (1-acetylpiperidin-4-yl)sulfanylformic acid (CID 57280339) is (1-acetylpiperidin-4-yl)sulfanylformic acid.
What is the SMILES notation for (1-acetylpiperidin-4-yl)sulfanylformic acid?
The canonical SMILES for (1-acetylpiperidin-4-yl)sulfanylformic acid is CC(=O)N1CCC(SC(=O)O)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl)sulfanylformic acid?
The InChIKey is OFBDKHBFRTWBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-6(10)9-4-2-7(3-5-9)13-8(11)12/h7H,2-5H2,1H3,(H,11,12).
What are the key properties of (1-acetylpiperidin-4-yl)sulfanylformic acid?
(1-acetylpiperidin-4-yl)sulfanylformic acid has a molecular weight of 203.26 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl)sulfanylformic acid is sourced from PubChem (CID 57280339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).