[(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide

C15H22F2N2O2S — CID 100898380

IUPAC[(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide
SMILESCC[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](CS(N)(=O)=O)C1
InChIInChI=1S/C15H22F2N2O2S/c1-2-15(13-6-5-12(16)8-14(13)17)19-7-3-4-11(9-19)10-22(18,20)21/h5-6,8,11,15H,2-4,7,9-10H2,1H3,(H2,18,20,21)/t11-,15+/m1/s1
InChIKeyAVCQCIUFVLJWOB-ABAIWWIYSA-N
MW332.42 g/mol
LogP2.42
Rot. Bonds5

About [(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide

[(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide (PubChem CID 100898380) has the molecular formula C15H22F2N2O2S and a molecular weight of 332.42 g/mol. Its IUPAC name is [(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide
PubChem CID100898380
Molecular FormulaC15H22F2N2O2S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Name[(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide
SMILESCC[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](CS(N)(=O)=O)C1
InChIInChI=1S/C15H22F2N2O2S/c1-2-15(13-6-5-12(16)8-14(13)17)19-7-3-4-11(9-19)10-22(18,20)21/h5-6,8,11,15H,2-4,7,9-10H2,1H3,(H2,18,20,21)/t11-,15+/m1/s1
InChIKeyAVCQCIUFVLJWOB-ABAIWWIYSA-N
XLogP2.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728118
3-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65072375
1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
CID 107521390
2-(4-ethoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 43584286
[1-(4-fluoro-2-nitrophenyl)piperidin-3-yl]methanesulfonamide
CID 56805196
2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 114843397
(2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
CID 52521152
(2R)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
CID 52521154
[1-[(2-cyano-5-fluorophenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 86770943
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide
CID 75469826

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of [(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide (CID 100898380) is [(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide is CC[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](CS(N)(=O)=O)C1.
What is the InChIKey of [(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is AVCQCIUFVLJWOB-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H22F2N2O2S/c1-2-15(13-6-5-12(16)8-14(13)17)19-7-3-4-11(9-19)10-22(18,20)21/h5-6,8,11,15H,2-4,7,9-10H2,1H3,(H2,18,20,21)/t11-,15+/m1/s1.
What are the key properties of [(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide?
[(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 332.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(1S)-1-(2,4-difluorophenyl)propyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 100898380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).