2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide

C12H23NO5S — CID 114233194

IUPAC2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)CCC1OCCCO1
InChIInChI=1S/C12H23NO5S/c1-3-13(4-2)11(14)10-19(15,16)9-6-12-17-7-5-8-18-12/h12H,3-10H2,1-2H3
InChIKeyXWZMPAUZUNUPBD-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.42
Rot. Bonds7

About 2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide

2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide (PubChem CID 114233194) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide
PubChem CID114233194
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Name2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)CCC1OCCCO1
InChIInChI=1S/C12H23NO5S/c1-3-13(4-2)11(14)10-19(15,16)9-6-12-17-7-5-8-18-12/h12H,3-10H2,1-2H3
InChIKeyXWZMPAUZUNUPBD-UHFFFAOYSA-N
XLogP0.42
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-propan-2-ylsulfonylethyl)-1,3-dioxane
CID 66473770
N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide
CID 114232617
3-[2-(1,3-dioxolan-2-yl)ethyl]-1,1-diethylurea
CID 110369964
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
2-(4,4-dimethylcyclohexyl)sulfonyl-N,N-diethylacetamide
CID 136534969
N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide
CID 113225012
N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
CID 112695679
5-(1,3-dioxan-2-yl)pentan-2-one
CID 174893387
N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943661
2-[2-(3,4-difluorophenyl)sulfonylethyl]-1,3-dioxane
CID 66472567
2-[2-(2-methoxyphenyl)sulfonylethyl]-1,3-dioxane
CID 66474370
3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
CID 113117319

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide (CID 114233194) is 2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide is CCN(CC)C(=O)CS(=O)(=O)CCC1OCCCO1.
What is the InChIKey of 2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide?
The InChIKey is XWZMPAUZUNUPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-3-13(4-2)11(14)10-19(15,16)9-6-12-17-7-5-8-18-12/h12H,3-10H2,1-2H3.
What are the key properties of 2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide?
2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide has a molecular weight of 293.38 g/mol, XLogP of 0.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide is sourced from PubChem (CID 114233194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).