N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

C16H22N2O6S — CID 113149739

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)CC1CCCO1
InChIInChI=1S/C16H22N2O6S/c1-25(20,21)18(10-13-3-2-6-22-13)11-16(19)17-12-4-5-14-15(9-12)24-8-7-23-14/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,17,19)
InChIKeyCDFGAVFGSKTBNW-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.84
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 113149739) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
PubChem CID113149739
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)CC1CCCO1
InChIInChI=1S/C16H22N2O6S/c1-25(20,21)18(10-13-3-2-6-22-13)11-16(19)17-12-4-5-14-15(9-12)24-8-7-23-14/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,17,19)
InChIKeyCDFGAVFGSKTBNW-UHFFFAOYSA-N
XLogP0.84
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149708
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149685
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149682
2-[cyclopropyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113148011
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
2-[cycloheptyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113153161
N-(1,3-benzodioxol-5-yl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148598
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149615
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (CID 113149739) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)CC1CCCO1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is CDFGAVFGSKTBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-25(20,21)18(10-13-3-2-6-22-13)11-16(19)17-12-4-5-14-15(9-12)24-8-7-23-14/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,17,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 370.43 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 113149739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).