4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide

C11H16N2O2S — CID 66248831

IUPAC4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
SMILESCC1(C(=O)NCc2cccs2)COCC1N
InChIInChI=1S/C11H16N2O2S/c1-11(7-15-6-9(11)12)10(14)13-5-8-3-2-4-16-8/h2-4,9H,5-7,12H2,1H3,(H,13,14)
InChIKeyBQRWZRCRKGAATM-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.73
Rot. Bonds3

About 4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide

4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 66248831) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
PubChem CID66248831
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
SMILESCC1(C(=O)NCc2cccs2)COCC1N
InChIInChI=1S/C11H16N2O2S/c1-11(7-15-6-9(11)12)10(14)13-5-8-3-2-4-16-8/h2-4,9H,5-7,12H2,1H3,(H,13,14)
InChIKeyBQRWZRCRKGAATM-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide
CID 80527386
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide
CID 66248690
1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116563126
4-amino-3-methyl-N-(naphthalen-1-ylmethyl)oxolane-3-carboxamide
CID 66263037
4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide
CID 106416741
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyloxolane-3-carboxamide
CID 66250662
4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
CID 66250197
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66249657
3-(thiophen-2-ylmethylcarbamoyl)oxetane-3-carboxylic acid
CID 115184971
N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
4-amino-N-[2-(methoxymethyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66248648
1-(thiophen-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096590

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide (CID 66248831) is 4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide is CC1(C(=O)NCc2cccs2)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is BQRWZRCRKGAATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(7-15-6-9(11)12)10(14)13-5-8-3-2-4-16-8/h2-4,9H,5-7,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66248831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).