3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide

C11H16N2O3S — CID 106435444

IUPAC3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCC(O)c2ccsc2)CCOC1
InChIInChI=1S/C11H16N2O3S/c12-11(2-3-16-7-11)10(15)13-5-9(14)8-1-4-17-6-8/h1,4,6,9,14H,2-3,5,7,12H2,(H,13,15)
InChIKeyDELQMZVRVVQAAC-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.02
Rot. Bonds4

About 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide

3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide (PubChem CID 106435444) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide
PubChem CID106435444
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide
SMILESNC1(C(=O)NCC(O)c2ccsc2)CCOC1
InChIInChI=1S/C11H16N2O3S/c12-11(2-3-16-7-11)10(15)13-5-9(14)8-1-4-17-6-8/h1,4,6,9,14H,2-3,5,7,12H2,(H,13,15)
InChIKeyDELQMZVRVVQAAC-UHFFFAOYSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide (CID 106435444) is 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide is NC1(C(=O)NCC(O)c2ccsc2)CCOC1.
What is the InChIKey of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide?
The InChIKey is DELQMZVRVVQAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c12-11(2-3-16-7-11)10(15)13-5-9(14)8-1-4-17-6-8/h1,4,6,9,14H,2-3,5,7,12H2,(H,13,15).
What are the key properties of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide?
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 106435444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).