N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide

C15H21FN2O3S2 — CID 43073276

IUPACN-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S2/c1-23(20,21)17-10-13-4-2-3-9-18(13)15(19)11-22-14-7-5-12(16)6-8-14/h5-8,13,17H,2-4,9-11H2,1H3
InChIKeyUMNFYHRSFTURTF-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.85
Rot. Bonds6

About N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 43073276) has the molecular formula C15H21FN2O3S2 and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID43073276
Molecular FormulaC15H21FN2O3S2
Molecular Weight360.48 g/mol
Exact Mass360.10
IUPAC NameN-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S2/c1-23(20,21)17-10-13-4-2-3-9-18(13)15(19)11-22-14-7-5-12(16)6-8-14/h5-8,13,17H,2-4,9-11H2,1H3
InChIKeyUMNFYHRSFTURTF-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[(4-fluorophenyl)thio]ethanone
CID 2080448
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
N-cyclohexyl-2-(phenylsulfonyl)acetamide
CID 1264349
1-(4-Methylsulfonylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 2971495
N-cyclohexyl-3-(phenylsulfonyl)propanamide
CID 6458857
3-(Benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 6459212
N-[1-(azepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide
CID 4791699
1-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 4807280
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 4830029
N-[1-(azocan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide
CID 24818106
N-(1-acetylpiperidin-4-yl)-4-fluorobenzenesulfonamide
CID 9926350
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 51072581

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide (CID 43073276) is N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)CSc1ccc(F)cc1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is UMNFYHRSFTURTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S2/c1-23(20,21)17-10-13-4-2-3-9-18(13)15(19)11-22-14-7-5-12(16)6-8-14/h5-8,13,17H,2-4,9-11H2,1H3.
What are the key properties of N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 43073276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).