[(2S)-2-methylbutyl] 2-thiophen-3-ylacetate

C11H16O2S — CID 101245181

IUPAC[(2S)-2-methylbutyl] 2-thiophen-3-ylacetate
SMILESCC[C@H](C)COC(=O)Cc1ccsc1
InChIInChI=1S/C11H16O2S/c1-3-9(2)7-13-11(12)6-10-4-5-14-8-10/h4-5,8-9H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyWVTJWSZHMKHQDD-VIFPVBQESA-N
MW212.31 g/mol
LogP2.88
Rot. Bonds5

About [(2S)-2-methylbutyl] 2-thiophen-3-ylacetate

[(2S)-2-methylbutyl] 2-thiophen-3-ylacetate (PubChem CID 101245181) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is [(2S)-2-methylbutyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[(2S)-2-methylbutyl] 2-thiophen-3-ylacetate
PubChem CID101245181
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name[(2S)-2-methylbutyl] 2-thiophen-3-ylacetate
SMILESCC[C@H](C)COC(=O)Cc1ccsc1
InChIInChI=1S/C11H16O2S/c1-3-9(2)7-13-11(12)6-10-4-5-14-8-10/h4-5,8-9H,3,6-7H2,1-2H3/t9-/m0/s1
InChIKeyWVTJWSZHMKHQDD-VIFPVBQESA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
(2,3,4,5,6-pentafluorophenyl) 2-thiophen-3-ylacetate
CID 10470503
4-amino-5-methyl-1-thiophen-3-ylhexan-2-one
CID 116606372
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4668327
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-thiophen-3-ylacetate
CID 7968677
4-amino-1-thiophen-3-ylheptan-2-one
CID 116607941
3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide
CID 62652889
methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid
CID 157188448
4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one
CID 116600113

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylbutyl] 2-thiophen-3-ylacetate?
The IUPAC name of [(2S)-2-methylbutyl] 2-thiophen-3-ylacetate (CID 101245181) is [(2S)-2-methylbutyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [(2S)-2-methylbutyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [(2S)-2-methylbutyl] 2-thiophen-3-ylacetate is CC[C@H](C)COC(=O)Cc1ccsc1.
What is the InChIKey of [(2S)-2-methylbutyl] 2-thiophen-3-ylacetate?
The InChIKey is WVTJWSZHMKHQDD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16O2S/c1-3-9(2)7-13-11(12)6-10-4-5-14-8-10/h4-5,8-9H,3,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of [(2S)-2-methylbutyl] 2-thiophen-3-ylacetate?
[(2S)-2-methylbutyl] 2-thiophen-3-ylacetate has a molecular weight of 212.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylbutyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 101245181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).