3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide

C8H16N2O4S — CID 64891137

IUPAC3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1(N)CCOC1
InChIInChI=1S/C8H16N2O4S/c1-15(12,13)5-3-10-7(11)8(9)2-4-14-6-8/h2-6,9H2,1H3,(H,10,11)
InChIKeyAIHRTHUJMPMYNA-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.74
Rot. Bonds4

About 3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide

3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide (PubChem CID 64891137) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide
PubChem CID64891137
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1(N)CCOC1
InChIInChI=1S/C8H16N2O4S/c1-15(12,13)5-3-10-7(11)8(9)2-4-14-6-8/h2-6,9H2,1H3,(H,10,11)
InChIKeyAIHRTHUJMPMYNA-UHFFFAOYSA-N
XLogP-1.74
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide (CID 64891137) is 3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide is CS(=O)(=O)CCNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide?
The InChIKey is AIHRTHUJMPMYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-15(12,13)5-3-10-7(11)8(9)2-4-14-6-8/h2-6,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide?
3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide has a molecular weight of 236.29 g/mol, XLogP of -1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64891137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).