3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide

C11H16N2O2S — CID 64892097

IUPAC3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide
SMILESCC(NC(=O)C1(N)CCOC1)c1cccs1
InChIInChI=1S/C11H16N2O2S/c1-8(9-3-2-6-16-9)13-10(14)11(12)4-5-15-7-11/h2-3,6,8H,4-5,7,12H2,1H3,(H,13,14)
InChIKeyCZLBARXIKRVIHI-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.04
Rot. Bonds3

About 3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide

3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide (PubChem CID 64892097) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide
PubChem CID64892097
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide
SMILESCC(NC(=O)C1(N)CCOC1)c1cccs1
InChIInChI=1S/C11H16N2O2S/c1-8(9-3-2-6-16-9)13-10(14)11(12)4-5-15-7-11/h2-3,6,8H,4-5,7,12H2,1H3,(H,13,14)
InChIKeyCZLBARXIKRVIHI-UHFFFAOYSA-N
XLogP1.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113310086
3-amino-N-[1-(2,6-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892539
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81380051
3-amino-N-[1-(2-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64891934
3-amino-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892897
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
3-amino-N-(2-methyl-1-phenylpropyl)oxolane-3-carboxamide
CID 64891316
3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892108
methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 163364958
3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide
CID 64891106
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide
CID 113280622
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide (CID 64892097) is 3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide is CC(NC(=O)C1(N)CCOC1)c1cccs1.
What is the InChIKey of 3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide?
The InChIKey is CZLBARXIKRVIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(9-3-2-6-16-9)13-10(14)11(12)4-5-15-7-11/h2-3,6,8H,4-5,7,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide?
3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).