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

C17H26N2O4S — CID 10546071

IUPACN-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C17H26N2O4S/c1-24(20,21)18-9-6-14-7-10-19(11-8-14)12-15-13-22-16-4-2-3-5-17(16)23-15/h2-5,14-15,18H,6-13H2,1H3
InChIKeyGWVSKFQVFXIYMQ-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.48
Rot. Bonds6

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

N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide (PubChem CID 10546071) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide
PubChem CID10546071
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCN(CC2COc3ccccc3O2)CC1
InChIInChI=1S/C17H26N2O4S/c1-24(20,21)18-9-6-14-7-10-19(11-8-14)12-15-13-22-16-4-2-3-5-17(16)23-15/h2-5,14-15,18H,6-13H2,1H3
InChIKeyGWVSKFQVFXIYMQ-UHFFFAOYSA-N
XLogP1.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide (CID 10546071) is N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCN(CC2COc3ccccc3O2)CC1.
What is the InChIKey of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide?
The InChIKey is GWVSKFQVFXIYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-24(20,21)18-9-6-14-7-10-19(11-8-14)12-15-13-22-16-4-2-3-5-17(16)23-15/h2-5,14-15,18H,6-13H2,1H3.
What are the key properties of N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide?
N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 10546071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).