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

C14H22N2O2S — CID 80527386

IUPAC4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide
SMILESCC(C)(CNC(=O)C1(C)COCC1N)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-13(2,11-5-4-6-19-11)8-16-12(17)14(3)9-18-7-10(14)15/h4-6,10H,7-9,15H2,1-3H3,(H,16,17)
InChIKeyBYEFMGZSDUWPDQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.51
Rot. Bonds4

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

4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide (PubChem CID 80527386) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide
PubChem CID80527386
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide
SMILESCC(C)(CNC(=O)C1(C)COCC1N)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-13(2,11-5-4-6-19-11)8-16-12(17)14(3)9-18-7-10(14)15/h4-6,10H,7-9,15H2,1-3H3,(H,16,17)
InChIKeyBYEFMGZSDUWPDQ-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 66248831
1-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119325984
1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutane-1-carboxamide
CID 80599616
1-(4-amino-3-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116563126
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
CID 80526373
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
CID 66250197
4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527342
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-methyloxolane-3-carboxamide
CID 66248690
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
1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide
CID 80526850

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide (CID 80527386) is 4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide is CC(C)(CNC(=O)C1(C)COCC1N)c1cccs1.
What is the InChIKey of 4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide?
The InChIKey is BYEFMGZSDUWPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-13(2,11-5-4-6-19-11)8-16-12(17)14(3)9-18-7-10(14)15/h4-6,10H,7-9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide?
4-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.51, 4 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-(2-methyl-2-thiophen-2-ylpropyl)oxolane-3-carboxamide is sourced from PubChem (CID 80527386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).