N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide

C11H16N2O4S — CID 28769971

IUPACN-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H16N2O4S/c1-18(14,15)13(5-4-12)9-2-3-10-11(8-9)17-7-6-16-10/h2-3,8H,4-7,12H2,1H3
InChIKeyFOMRIULYECJOEK-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.18
Rot. Bonds4

About N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide

N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide (PubChem CID 28769971) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
PubChem CID28769971
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H16N2O4S/c1-18(14,15)13(5-4-12)9-2-3-10-11(8-9)17-7-6-16-10/h2-3,8H,4-7,12H2,1H3
InChIKeyFOMRIULYECJOEK-UHFFFAOYSA-N
XLogP0.18
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]butanoic acid
CID 91671468
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylbutanamide
CID 53287608
1-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]ethyl]-3-propan-2-ylurea
CID 113071711
3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113146189
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156552
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100565454
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]butanamide
CID 53287677
N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylacetamide
CID 46771882
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-ethyl-N-phenylacetamide
CID 113156576
N-(1,3-benzodioxol-5-yl)-N-(2,2-diethoxyethyl)methanesulfonamide
CID 10568486
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113156578
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(2-methoxyethyl)acetamide
CID 113156555

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide (CID 28769971) is N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide is CS(=O)(=O)N(CCN)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The InChIKey is FOMRIULYECJOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-18(14,15)13(5-4-12)9-2-3-10-11(8-9)17-7-6-16-10/h2-3,8H,4-7,12H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide has a molecular weight of 272.33 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide is sourced from PubChem (CID 28769971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).