3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one

C12H17NO2S — CID 75436316

IUPAC3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one
SMILESCCN(Cc1cccs1)C1CC(C)OC1=O
InChIInChI=1S/C12H17NO2S/c1-3-13(8-10-5-4-6-16-10)11-7-9(2)15-12(11)14/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeySODIJYHNZQMAKB-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.27
Rot. Bonds4

About 3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one

3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one (PubChem CID 75436316) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one
PubChem CID75436316
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one
SMILESCCN(Cc1cccs1)C1CC(C)OC1=O
InChIInChI=1S/C12H17NO2S/c1-3-13(8-10-5-4-6-16-10)11-7-9(2)15-12(11)14/h4-6,9,11H,3,7-8H2,1-2H3
InChIKeySODIJYHNZQMAKB-UHFFFAOYSA-N
XLogP2.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 69497458
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
CID 134001322
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047
(3S,5R)-3-[(2-bromophenyl)methyl-methylamino]-5-methyloxolan-2-one
CID 95277148
3,4-dimethyl-4-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 164646289
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one?
The IUPAC name of 3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one (CID 75436316) is 3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one.
What is the SMILES notation for 3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one?
The canonical SMILES for 3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one is CCN(Cc1cccs1)C1CC(C)OC1=O.
What is the InChIKey of 3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one?
The InChIKey is SODIJYHNZQMAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-13(8-10-5-4-6-16-10)11-7-9(2)15-12(11)14/h4-6,9,11H,3,7-8H2,1-2H3.
What are the key properties of 3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one?
3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one has a molecular weight of 239.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(thiophen-2-ylmethyl)amino]-5-methyloxolan-2-one is sourced from PubChem (CID 75436316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).