N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide

C14H20N2O2S — CID 114626808

IUPACN-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1ccccc1CO
InChIInChI=1S/C14H20N2O2S/c17-9-11-3-1-2-4-13(11)16-14(18)10-19-12-5-7-15-8-6-12/h1-4,12,15,17H,5-10H2,(H,16,18)
InChIKeyQWQVDEMHCJWKLX-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.60
Rot. Bonds5

About N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide

N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626808) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626808
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1ccccc1CO
InChIInChI=1S/C14H20N2O2S/c17-9-11-3-1-2-4-13(11)16-14(18)10-19-12-5-7-15-8-6-12/h1-4,12,15,17H,5-10H2,(H,16,18)
InChIKeyQWQVDEMHCJWKLX-UHFFFAOYSA-N
XLogP1.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide (CID 114626808) is N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)Nc1ccccc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is QWQVDEMHCJWKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-9-11-3-1-2-4-13(11)16-14(18)10-19-12-5-7-15-8-6-12/h1-4,12,15,17H,5-10H2,(H,16,18).
What are the key properties of N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide?
N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 280.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).