3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide

C11H19FN2O2S — CID 163702343

IUPAC3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide
SMILESCC1(F)CC(C(=O)NC2CCN(S)CC2O)C1
InChIInChI=1S/C11H19FN2O2S/c1-11(12)4-7(5-11)10(16)13-8-2-3-14(17)6-9(8)15/h7-9,15,17H,2-6H2,1H3,(H,13,16)
InChIKeyKCCJAOQOZUHLNX-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.52
Rot. Bonds2

About 3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide

3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide (PubChem CID 163702343) has the molecular formula C11H19FN2O2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide
PubChem CID163702343
Molecular FormulaC11H19FN2O2S
Molecular Weight262.35 g/mol
Exact Mass262.12
IUPAC Name3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide
SMILESCC1(F)CC(C(=O)NC2CCN(S)CC2O)C1
InChIInChI=1S/C11H19FN2O2S/c1-11(12)4-7(5-11)10(16)13-8-2-3-14(17)6-9(8)15/h7-9,15,17H,2-6H2,1H3,(H,13,16)
InChIKeyKCCJAOQOZUHLNX-UHFFFAOYSA-N
XLogP0.52
TPSA52.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide (CID 163702343) is 3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide is CC1(F)CC(C(=O)NC2CCN(S)CC2O)C1.
What is the InChIKey of 3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is KCCJAOQOZUHLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O2S/c1-11(12)4-7(5-11)10(16)13-8-2-3-14(17)6-9(8)15/h7-9,15,17H,2-6H2,1H3,(H,13,16).
What are the key properties of 3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide?
3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-hydroxy-1-sulfanylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 163702343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).