N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide

C14H19FN2OS — CID 107025232

IUPACN-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
SMILESCCN1CCCC(NC(=O)c2cc(S)ccc2F)C1
InChIInChI=1S/C14H19FN2OS/c1-2-17-7-3-4-10(9-17)16-14(18)12-8-11(19)5-6-13(12)15/h5-6,8,10,19H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyDZBLCXCLHSGLES-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.33
Rot. Bonds3

About N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide

N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide (PubChem CID 107025232) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
PubChem CID107025232
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC NameN-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
SMILESCCN1CCCC(NC(=O)c2cc(S)ccc2F)C1
InChIInChI=1S/C14H19FN2OS/c1-2-17-7-3-4-10(9-17)16-14(18)12-8-11(19)5-6-13(12)15/h5-6,8,10,19H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyDZBLCXCLHSGLES-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide
CID 107031015
N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107025229
5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296207
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 63185168
4-amino-N-(1-ethylpiperidin-3-yl)-6-methylpyridine-3-carboxamide
CID 81242550
N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 124752653
5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide
CID 113240326
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
N-(1-ethylpiperidin-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61151217

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide (CID 107025232) is N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide is CCN1CCCC(NC(=O)c2cc(S)ccc2F)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide?
The InChIKey is DZBLCXCLHSGLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-2-17-7-3-4-10(9-17)16-14(18)12-8-11(19)5-6-13(12)15/h5-6,8,10,19H,2-4,7,9H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide?
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide has a molecular weight of 282.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107025232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).