N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C16H24N2O5S — CID 120896939

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOCC1(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CCNCC1
InChIInChI=1S/C16H24N2O5S/c1-21-12-16(4-6-17-7-5-16)11-18-24(19,20)13-2-3-14-15(10-13)23-9-8-22-14/h2-3,10,17-18H,4-9,11-12H2,1H3
InChIKeyMGQKPQATSFXVRO-UHFFFAOYSA-N
MW356.44 g/mol
LogP0.75
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 120896939) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID120896939
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOCC1(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CCNCC1
InChIInChI=1S/C16H24N2O5S/c1-21-12-16(4-6-17-7-5-16)11-18-24(19,20)13-2-3-14-15(10-13)23-9-8-22-14/h2-3,10,17-18H,4-9,11-12H2,1H3
InChIKeyMGQKPQATSFXVRO-UHFFFAOYSA-N
XLogP0.75
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzenesulfonamide
CID 120896521
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
N-[(4-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120720227
N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide
CID 120896043
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 120896890
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 120896353
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]-N-methylacetamide;hydrochloride
CID 120896852
4-cyano-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120896081

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 120896939) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COCC1(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is MGQKPQATSFXVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-21-12-16(4-6-17-7-5-16)11-18-24(19,20)13-2-3-14-15(10-13)23-9-8-22-14/h2-3,10,17-18H,4-9,11-12H2,1H3.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 356.44 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 120896939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).