ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate

C14H21NO3S — CID 61345194

IUPACethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate
SMILESCCOC(=O)C(NCC1CCCO1)c1ccc(C)s1
InChIInChI=1S/C14H21NO3S/c1-3-17-14(16)13(12-7-6-10(2)19-12)15-9-11-5-4-8-18-11/h6-7,11,13,15H,3-5,8-9H2,1-2H3
InChIKeyUMUSTBLJWDVFJZ-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.43
Rot. Bonds6

About ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate

ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate (PubChem CID 61345194) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate
PubChem CID61345194
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate
SMILESCCOC(=O)C(NCC1CCCO1)c1ccc(C)s1
InChIInChI=1S/C14H21NO3S/c1-3-17-14(16)13(12-7-6-10(2)19-12)15-9-11-5-4-8-18-11/h6-7,11,13,15H,3-5,8-9H2,1-2H3
InChIKeyUMUSTBLJWDVFJZ-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclohexylamino)-2-(5-methylthiophen-2-yl)acetate
CID 61345599
ethyl 2-(1-methylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890518
[1-(5-methylthiophen-2-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198565
ethyl 3-methyl-2-(oxolan-2-ylmethylamino)but-3-enoate
CID 114784517
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
2-(3-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 61347926
2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 62133911
ethyl 2-[[(2R)-2-[[(2R)-oxolan-2-yl]methylamino]-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2477588
ethyl 2-[[(2S)-2-[[(2R)-oxolan-2-yl]methylamino]-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2477592
1-[1-(5-methylthiophen-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61473596

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate?
The IUPAC name of ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate (CID 61345194) is ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate is CCOC(=O)C(NCC1CCCO1)c1ccc(C)s1.
What is the InChIKey of ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate?
The InChIKey is UMUSTBLJWDVFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-17-14(16)13(12-7-6-10(2)19-12)15-9-11-5-4-8-18-11/h6-7,11,13,15H,3-5,8-9H2,1-2H3.
What are the key properties of ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate?
ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate has a molecular weight of 283.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetate is sourced from PubChem (CID 61345194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).