N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide

C16H26N2O3S — CID 167138047

IUPACN-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide
SMILESCOCC1CN([C@@H](C)c2ccccc2)CCC1NS(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-13(14-7-5-4-6-8-14)18-10-9-16(17-22(3,19)20)15(11-18)12-21-2/h4-8,13,15-17H,9-12H2,1-3H3/t13-,15?,16?/m0/s1
InChIKeyLYPWOPVWJSGIFD-JEYLPNPQSA-N
MW326.46 g/mol
LogP1.63
Rot. Bonds6

About N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide

N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide (PubChem CID 167138047) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide
PubChem CID167138047
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide
SMILESCOCC1CN([C@@H](C)c2ccccc2)CCC1NS(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-13(14-7-5-4-6-8-14)18-10-9-16(17-22(3,19)20)15(11-18)12-21-2/h4-8,13,15-17H,9-12H2,1-3H3/t13-,15?,16?/m0/s1
InChIKeyLYPWOPVWJSGIFD-JEYLPNPQSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide (CID 167138047) is N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide is COCC1CN([C@@H](C)c2ccccc2)CCC1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is LYPWOPVWJSGIFD-JEYLPNPQSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(14-7-5-4-6-8-14)18-10-9-16(17-22(3,19)20)15(11-18)12-21-2/h4-8,13,15-17H,9-12H2,1-3H3/t13-,15?,16?/m0/s1.
What are the key properties of N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide?
N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 167138047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).