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

C19H24N2O5S — CID 51169408

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCC(c1ccco1)N1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H24N2O5S/c22-27(23,15-6-7-18-19(13-15)26-12-11-25-18)20-14-16(17-5-4-10-24-17)21-8-2-1-3-9-21/h4-7,10,13,16,20H,1-3,8-9,11-12,14H2
InChIKeyZYZBMRGHIFYYDX-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.56
Rot. Bonds6

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

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 51169408) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID51169408
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCC(c1ccco1)N1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H24N2O5S/c22-27(23,15-6-7-18-19(13-15)26-12-11-25-18)20-14-16(17-5-4-10-24-17)21-8-2-1-3-9-21/h4-7,10,13,16,20H,1-3,8-9,11-12,14H2
InChIKeyZYZBMRGHIFYYDX-UHFFFAOYSA-N
XLogP2.56
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344578
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30717095
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 55540133
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16933043
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-sulfonamide
CID 42344402
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
2-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methylsulfonylbenzenesulfonamide
CID 47070129
N-[4-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 2468130
methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate
CID 47019084
4-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 124705074
4-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 7243475

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 51169408) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCC(c1ccco1)N1CCCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is ZYZBMRGHIFYYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c22-27(23,15-6-7-18-19(13-15)26-12-11-25-18)20-14-16(17-5-4-10-24-17)21-8-2-1-3-9-21/h4-7,10,13,16,20H,1-3,8-9,11-12,14H2.
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 51169408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).