N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide

C14H18FN3O2S — CID 115298747

IUPACN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide
SMILESNC(=S)CN1CCC(NC(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C14H18FN3O2S/c15-9-1-2-12(19)11(7-9)14(20)17-10-3-5-18(6-4-10)8-13(16)21/h1-2,7,10,19H,3-6,8H2,(H2,16,21)(H,17,20)
InChIKeyNEALRYIBFFRIFI-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.01
Rot. Bonds4

About N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide (PubChem CID 115298747) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide
PubChem CID115298747
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide
SMILESNC(=S)CN1CCC(NC(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C14H18FN3O2S/c15-9-1-2-12(19)11(7-9)14(20)17-10-3-5-18(6-4-10)8-13(16)21/h1-2,7,10,19H,3-6,8H2,(H2,16,21)(H,17,20)
InChIKeyNEALRYIBFFRIFI-UHFFFAOYSA-N
XLogP1.01
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63627169
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-chloro-2-hydroxybenzamide
CID 134047749
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 63626827
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 63626996
N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281549
N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281742
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-4-bromo-2-methylbenzamide
CID 63627498
5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115298625
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627321
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-bromobenzamide
CID 63626811
N-[1-(cyanomethyl)piperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 63626427

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide (CID 115298747) is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide is NC(=S)CN1CCC(NC(=O)c2cc(F)ccc2O)CC1.
What is the InChIKey of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is NEALRYIBFFRIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c15-9-1-2-12(19)11(7-9)14(20)17-10-3-5-18(6-4-10)8-13(16)21/h1-2,7,10,19H,3-6,8H2,(H2,16,21)(H,17,20).
What are the key properties of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide?
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 311.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115298747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).