N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide

C15H24N2O3S — CID 56703319

IUPACN-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(CCOCc2ccccc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-21(18,19)16-15-7-9-17(10-8-15)11-12-20-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyPBIVGPNDSWCSGW-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.22
Rot. Bonds7

About N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide

N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide (PubChem CID 56703319) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide
PubChem CID56703319
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC NameN-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(CCOCc2ccccc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-21(18,19)16-15-7-9-17(10-8-15)11-12-20-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyPBIVGPNDSWCSGW-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-{[(2S)-2-(4-Fluorophenyl)morpholin-4-yl]methyl}phenyl)ethyl]methanesulfonamide
CID 71660507
2-Phenyl-3,6-dimethylmorpholine
CID 43174741
N-[(1R)-1-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]ethyl]methanesulfonamide
CID 91937936
Benzoic acid, thio-, O-2-piperidinoethyl ester, hydrochloride
CID 60350
2-[(Benzyloxy)methyl]piperidine
CID 14449341
(5S)-5-(phenylmethoxymethyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 44237480
N-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]methanesulfonamide
CID 45803182
N-[[1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 45828781
(5R)-5-(phenylmethoxymethyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 49865873
(5R)-4-methyl-5-(phenylmethoxymethyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 49865981
N-{1-[2-(2-Ethylphenoxy)ethyl]piperidin-4-YL}methanesulfonamide
CID 50952486
(3S,4R)-4-[(2R)-2-methylpyrrolidin-1-yl]-3-(phenylmethoxymethyl)-1,2-thiazolidine 1,1-dioxide
CID 51359567

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide (CID 56703319) is N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(CCOCc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is PBIVGPNDSWCSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-21(18,19)16-15-7-9-17(10-8-15)11-12-20-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3.
What are the key properties of N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide?
N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 56703319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).