N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide

C16H24N2O4S — CID 94029580

IUPACN-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CCCN(C(=O)COCc2ccccc2)C1
InChIInChI=1S/C16H24N2O4S/c1-23(20,21)17-10-15-8-5-9-18(11-15)16(19)13-22-12-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3/t15-/m1/s1
InChIKeyCFXYEPVOPZBPRM-OAHLLOKOSA-N
MW340.44 g/mol
LogP0.99
Rot. Bonds7

About N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 94029580) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID94029580
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1CCCN(C(=O)COCc2ccccc2)C1
InChIInChI=1S/C16H24N2O4S/c1-23(20,21)17-10-15-8-5-9-18(11-15)16(19)13-22-12-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3/t15-/m1/s1
InChIKeyCFXYEPVOPZBPRM-OAHLLOKOSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 119396607
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119396606
N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60776412
benzyl N-[(2R)-1-[(3R)-3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 51727543
N-[[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722466
N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51083128
4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 142630178
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
N-[[1-[2-(4-trimethylsilylphenyl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 119040530
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119646015

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide (CID 94029580) is N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1CCCN(C(=O)COCc2ccccc2)C1.
What is the InChIKey of N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is CFXYEPVOPZBPRM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-23(20,21)17-10-15-8-5-9-18(11-15)16(19)13-22-12-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3/t15-/m1/s1.
What are the key properties of N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 94029580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).