N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide

C15H22ClFN2O2S — CID 95221553

IUPACN-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(Cl)c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1F
InChIInChI=1S/C15H22ClFN2O2S/c1-11-5-6-14(16)13(15(11)17)10-19-7-3-4-12(9-19)8-18-22(2,20)21/h5-6,12,18H,3-4,7-10H2,1-2H3/t12-/m0/s1
InChIKeyJKYOSQLKJCBGDH-LBPRGKRZSA-N
MW348.87 g/mol
LogP2.55
Rot. Bonds5

About N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 95221553) has the molecular formula C15H22ClFN2O2S and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID95221553
Molecular FormulaC15H22ClFN2O2S
Molecular Weight348.87 g/mol
Exact Mass348.11
IUPAC NameN-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCc1ccc(Cl)c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1F
InChIInChI=1S/C15H22ClFN2O2S/c1-11-5-6-14(16)13(15(11)17)10-19-7-3-4-12(9-19)8-18-22(2,20)21/h5-6,12,18H,3-4,7-10H2,1-2H3/t12-/m0/s1
InChIKeyJKYOSQLKJCBGDH-LBPRGKRZSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95218558
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
CID 47454552
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 56804774
(3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95886650
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 102616382
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62592900
N-[2-[(3S)-1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 95202887
N-[[(3R)-1-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838899
1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide
CID 131915097
N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 42960018
5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide
CID 25037618

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide (CID 95221553) is N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide is Cc1ccc(Cl)c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1F.
What is the InChIKey of N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is JKYOSQLKJCBGDH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22ClFN2O2S/c1-11-5-6-14(16)13(15(11)17)10-19-7-3-4-12(9-19)8-18-22(2,20)21/h5-6,12,18H,3-4,7-10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 348.87 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95221553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).