2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide

C14H19FN2OS — CID 107020927

IUPAC2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide
SMILESCN1CCC(N(C)C(=O)c2cc(S)ccc2F)CC1
InChIInChI=1S/C14H19FN2OS/c1-16-7-5-10(6-8-16)17(2)14(18)12-9-11(19)3-4-13(12)15/h3-4,9-10,19H,5-8H2,1-2H3
InChIKeyFSUHTNFOBJUDKS-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.28
Rot. Bonds2

About 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide

2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide (PubChem CID 107020927) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide
PubChem CID107020927
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide
SMILESCN1CCC(N(C)C(=O)c2cc(S)ccc2F)CC1
InChIInChI=1S/C14H19FN2OS/c1-16-7-5-10(6-8-16)17(2)14(18)12-9-11(19)3-4-13(12)15/h3-4,9-10,19H,5-8H2,1-2H3
InChIKeyFSUHTNFOBJUDKS-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide
CID 107026589
5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24690461
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
2-fluoro-N,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 62510083
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 61092236
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573
4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 123781612
2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide
CID 107027600

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide (CID 107020927) is 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide is CN1CCC(N(C)C(=O)c2cc(S)ccc2F)CC1.
What is the InChIKey of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide?
The InChIKey is FSUHTNFOBJUDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-16-7-5-10(6-8-16)17(2)14(18)12-9-11(19)3-4-13(12)15/h3-4,9-10,19H,5-8H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide?
2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide has a molecular weight of 282.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide is sourced from PubChem (CID 107020927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).