N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide

C15H20FN3OS — CID 63626827

IUPACN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESNC(=S)CN1CCC(NC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3OS/c16-12-3-1-11(2-4-12)9-15(20)18-13-5-7-19(8-6-13)10-14(17)21/h1-4,13H,5-10H2,(H2,17,21)(H,18,20)
InChIKeyZNTVPTGMSIXMHP-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.23
Rot. Bonds5

About N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 63626827) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
PubChem CID63626827
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESNC(=S)CN1CCC(NC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3OS/c16-12-3-1-11(2-4-12)9-15(20)18-13-5-7-19(8-6-13)10-14(17)21/h1-4,13H,5-10H2,(H2,17,21)(H,18,20)
InChIKeyZNTVPTGMSIXMHP-UHFFFAOYSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
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 N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide (CID 63626827) is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide is NC(=S)CN1CCC(NC(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is ZNTVPTGMSIXMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3OS/c16-12-3-1-11(2-4-12)9-15(20)18-13-5-7-19(8-6-13)10-14(17)21/h1-4,13H,5-10H2,(H2,17,21)(H,18,20).
What are the key properties of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 63626827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).