3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide

C11H16N2O4S — CID 54944704

IUPAC3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H16N2O4S/c12-4-1-7-18(14,15)13-9-2-3-10-11(8-9)17-6-5-16-10/h2-3,8,13H,1,4-7,12H2
InChIKeyZARWKLJNTALBDY-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.55
Rot. Bonds5

About 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide

3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide (PubChem CID 54944704) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
PubChem CID54944704
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H16N2O4S/c12-4-1-7-18(14,15)13-9-2-3-10-11(8-9)17-6-5-16-10/h2-3,8,13H,1,4-7,12H2
InChIKeyZARWKLJNTALBDY-UHFFFAOYSA-N
XLogP0.55
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propane-1-sulfonamide
CID 54944928
N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 60640203
1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 83092877
1-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanesulfonamide
CID 55246773
N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113050339
methyl 4-(1,3-benzodioxol-5-ylsulfamoyl)butanoate
CID 61460557
3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
CID 62813181
3-amino-N-(9H-fluoren-2-yl)propane-1-sulfonamide
CID 60910333
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)butane-1-sulfonamide
CID 110639705
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 3751776
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
CID 7516335

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide (CID 54944704) is 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide is NCCCS(=O)(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide?
The InChIKey is ZARWKLJNTALBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c12-4-1-7-18(14,15)13-9-2-3-10-11(8-9)17-6-5-16-10/h2-3,8,13H,1,4-7,12H2.
What are the key properties of 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide?
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide is sourced from PubChem (CID 54944704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).