N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide

C16H24N2O4S — CID 95281182

IUPACN-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCCN1Cc1cccc2c1OCCO2
InChIInChI=1S/C16H24N2O4S/c1-23(19,20)17-11-14-6-2-3-8-18(14)12-13-5-4-7-15-16(13)22-10-9-21-15/h4-5,7,14,17H,2-3,6,8-12H2,1H3/t14-/m0/s1
InChIKeySKYZZLOFTRVJLS-AWEZNQCLSA-N
MW340.45 g/mol
LogP1.36
Rot. Bonds5

About N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 95281182) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID95281182
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCCN1Cc1cccc2c1OCCO2
InChIInChI=1S/C16H24N2O4S/c1-23(19,20)17-11-14-6-2-3-8-18(14)12-13-5-4-7-15-16(13)22-10-9-21-15/h4-5,7,14,17H,2-3,6,8-12H2,1H3/t14-/m0/s1
InChIKeySKYZZLOFTRVJLS-AWEZNQCLSA-N
XLogP1.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-ethylpiperidine
CID 52763520
1-[[(2R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95308395
N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 95273531
N-[[(2R)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 33416941
N-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 20544751
N-[[(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51937010
4-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pyrrolidin-2-yl]-1-methylpyrazole
CID 154747688
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 70549576
1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2,4-dimethylpiperazine
CID 154748269
3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136554451
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 47053532
5-cyclopropyl-3-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 71928467

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide (CID 95281182) is N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCCCN1Cc1cccc2c1OCCO2.
What is the InChIKey of N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is SKYZZLOFTRVJLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-23(19,20)17-11-14-6-2-3-8-18(14)12-13-5-4-7-15-16(13)22-10-9-21-15/h4-5,7,14,17H,2-3,6,8-12H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95281182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).