5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide

C8H16N2O4S — CID 167938136

IUPAC5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide
SMILESCCS(=O)(=O)NCC1CCC(C(N)=O)O1
InChIInChI=1S/C8H16N2O4S/c1-2-15(12,13)10-5-6-3-4-7(14-6)8(9)11/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyLJYNBJBNOBNDMA-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.04
Rot. Bonds5

About 5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide

5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide (PubChem CID 167938136) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide
PubChem CID167938136
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide
SMILESCCS(=O)(=O)NCC1CCC(C(N)=O)O1
InChIInChI=1S/C8H16N2O4S/c1-2-15(12,13)10-5-6-3-4-7(14-6)8(9)11/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyLJYNBJBNOBNDMA-UHFFFAOYSA-N
XLogP-1.04
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-5-[[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]methyl]oxolane-2-carboxamide
CID 124777718
5-[[(2-amino-2-methylpentanoyl)amino]methyl]oxolane-2-carboxamide
CID 119822336
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338
(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 97241017
3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid
CID 125424994
5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
CID 133380624
5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
CID 133380627
5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 75380134
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 120669246
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
CID 119946036
(2R,5S)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835306
(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835307

Frequently Asked Questions

What is the IUPAC name of 5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide (CID 167938136) is 5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide is CCS(=O)(=O)NCC1CCC(C(N)=O)O1.
What is the InChIKey of 5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide?
The InChIKey is LJYNBJBNOBNDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-2-15(12,13)10-5-6-3-4-7(14-6)8(9)11/h6-7,10H,2-5H2,1H3,(H2,9,11).
What are the key properties of 5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide?
5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide has a molecular weight of 236.29 g/mol, XLogP of -1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(ethylsulfonylamino)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 167938136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).