N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide

C16H24F2N2OS — CID 169240706

IUPACN-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1CCN(Cc2ccccc2)CC1(F)F
InChIInChI=1S/C16H24F2N2OS/c1-15(2,3)22(21)19-14-9-10-20(12-16(14,17)18)11-13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3
InChIKeyMEVXHJQLVKXHFD-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.95
Rot. Bonds4

About N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide

N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide (PubChem CID 169240706) has the molecular formula C16H24F2N2OS and a molecular weight of 330.44 g/mol. Its IUPAC name is N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide
PubChem CID169240706
Molecular FormulaC16H24F2N2OS
Molecular Weight330.44 g/mol
Exact Mass330.16
IUPAC NameN-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1CCN(Cc2ccccc2)CC1(F)F
InChIInChI=1S/C16H24F2N2OS/c1-15(2,3)22(21)19-14-9-10-20(12-16(14,17)18)11-13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3
InChIKeyMEVXHJQLVKXHFD-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
CID 124674456
N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide
CID 67294048
N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-3-fluoro-3-methylazetidine-1-carboxamide
CID 146122435
ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate
CID 124709143
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(1S,6R)-3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 24861877
1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
CID 131168959
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
CID 10693138

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide (CID 169240706) is N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1CCN(Cc2ccccc2)CC1(F)F.
What is the InChIKey of N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is MEVXHJQLVKXHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2OS/c1-15(2,3)22(21)19-14-9-10-20(12-16(14,17)18)11-13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3.
What are the key properties of N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide?
N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 330.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,3-difluoropiperidin-4-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169240706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).