N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide

C17H28N2O3S — CID 14891469

IUPACN-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide
SMILESCC1CCN(CCCC(O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C17H28N2O3S/c1-14-9-12-19(13-10-14)11-3-4-17(20)15-5-7-16(8-6-15)18-23(2,21)22/h5-8,14,17-18,20H,3-4,9-13H2,1-2H3
InChIKeyAYFPFURGBQEABT-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.60
Rot. Bonds7

About N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide

N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide (PubChem CID 14891469) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide
PubChem CID14891469
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide
SMILESCC1CCN(CCCC(O)c2ccc(NS(C)(=O)=O)cc2)CC1
InChIInChI=1S/C17H28N2O3S/c1-14-9-12-19(13-10-14)11-3-4-17(20)15-5-7-16(8-6-15)18-23(2,21)22/h5-8,14,17-18,20H,3-4,9-13H2,1-2H3
InChIKeyAYFPFURGBQEABT-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide (CID 14891469) is N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide is CC1CCN(CCCC(O)c2ccc(NS(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide?
The InChIKey is AYFPFURGBQEABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-14-9-12-19(13-10-14)11-3-4-17(20)15-5-7-16(8-6-15)18-23(2,21)22/h5-8,14,17-18,20H,3-4,9-13H2,1-2H3.
What are the key properties of N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide?
N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14891469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).