N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide

C15H20N2O6S — CID 7619183

IUPACN-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCC1(C)COCN1S(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O6S/c1-15(2)8-21-9-17(15)24(19,20)6-5-16-14(18)11-3-4-12-13(7-11)23-10-22-12/h3-4,7H,5-6,8-10H2,1-2H3,(H,16,18)
InChIKeyWMSTVGQFFALWIQ-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.54
Rot. Bonds5

About N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7619183) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7619183
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC NameN-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCC1(C)COCN1S(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O6S/c1-15(2)8-21-9-17(15)24(19,20)6-5-16-14(18)11-3-4-12-13(7-11)23-10-22-12/h3-4,7H,5-6,8-10H2,1-2H3,(H,16,18)
InChIKeyWMSTVGQFFALWIQ-UHFFFAOYSA-N
XLogP0.54
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 7619183) is N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide is CC1(C)COCN1S(=O)(=O)CCNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is WMSTVGQFFALWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-15(2)8-21-9-17(15)24(19,20)6-5-16-14(18)11-3-4-12-13(7-11)23-10-22-12/h3-4,7H,5-6,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7619183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).