N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide

C15H24N2O3S — CID 139343550

IUPACN-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1(O)CCN(Cc2ccccc2)CC1CNS(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-15(18)8-9-17(11-13-6-4-3-5-7-13)12-14(15)10-16-21(2,19)20/h3-7,14,16,18H,8-12H2,1-2H3
InChIKeyGOQKEMFGYKNVIR-UHFFFAOYSA-N
MW312.43 g/mol
LogP0.81
Rot. Bonds5

About N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide

N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide (PubChem CID 139343550) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide
PubChem CID139343550
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide
SMILESCC1(O)CCN(Cc2ccccc2)CC1CNS(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-15(18)8-9-17(11-13-6-4-3-5-7-13)12-14(15)10-16-21(2,19)20/h3-7,14,16,18H,8-12H2,1-2H3
InChIKeyGOQKEMFGYKNVIR-UHFFFAOYSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
4-[[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]methyl]benzoic acid
CID 56758982
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol
CID 117025569
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
CID 22495756
1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365
N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide
CID 68604895
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide (CID 139343550) is N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide is CC1(O)CCN(Cc2ccccc2)CC1CNS(C)(=O)=O.
What is the InChIKey of N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide?
The InChIKey is GOQKEMFGYKNVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(18)8-9-17(11-13-6-4-3-5-7-13)12-14(15)10-16-21(2,19)20/h3-7,14,16,18H,8-12H2,1-2H3.
What are the key properties of N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide?
N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 139343550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).