thiophen-2-ylmethyl 5-aminohexanoate

C11H17NO2S — CID 82846568

IUPACthiophen-2-ylmethyl 5-aminohexanoate
SMILESCC(N)CCCC(=O)OCc1cccs1
InChIInChI=1S/C11H17NO2S/c1-9(12)4-2-6-11(13)14-8-10-5-3-7-15-10/h3,5,7,9H,2,4,6,8,12H2,1H3
InChIKeyXSOVTJFOENDTLE-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.31
Rot. Bonds6

About thiophen-2-ylmethyl 5-aminohexanoate

thiophen-2-ylmethyl 5-aminohexanoate (PubChem CID 82846568) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is thiophen-2-ylmethyl 5-aminohexanoate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 5-aminohexanoate
PubChem CID82846568
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namethiophen-2-ylmethyl 5-aminohexanoate
SMILESCC(N)CCCC(=O)OCc1cccs1
InChIInChI=1S/C11H17NO2S/c1-9(12)4-2-6-11(13)14-8-10-5-3-7-15-10/h3,5,7,9H,2,4,6,8,12H2,1H3
InChIKeyXSOVTJFOENDTLE-UHFFFAOYSA-N
XLogP2.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

thiophen-2-ylmethyl dodecanoate
CID 139970081
7-amino-1-thiophen-2-yloctan-3-one
CID 116610138
(2-fluorophenyl)methyl 5-aminohexanoate
CID 82847460
thiophen-2-ylmethyl 3-amino-3-methylbutanoate
CID 64701985
thiophen-2-ylmethyl 3-(4-aminophenyl)butanoate
CID 104503252
benzyl 4-thiophen-2-ylbutanoate
CID 78759392
ethyl 6-amino-6-thiophen-2-ylhexanoate
CID 60862649
thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate
CID 115285074
1-chloroethyl thiophen-2-ylmethyl carbonate
CID 19937872
thiophen-2-ylmethyl 2-acetylsulfanylacetate
CID 139696751
thiophen-2-ylmethyl 3-(4-methylanilino)propanoate
CID 60717468
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791

Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 5-aminohexanoate?
The IUPAC name of thiophen-2-ylmethyl 5-aminohexanoate (CID 82846568) is thiophen-2-ylmethyl 5-aminohexanoate.
What is the SMILES notation for thiophen-2-ylmethyl 5-aminohexanoate?
The canonical SMILES for thiophen-2-ylmethyl 5-aminohexanoate is CC(N)CCCC(=O)OCc1cccs1.
What is the InChIKey of thiophen-2-ylmethyl 5-aminohexanoate?
The InChIKey is XSOVTJFOENDTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(12)4-2-6-11(13)14-8-10-5-3-7-15-10/h3,5,7,9H,2,4,6,8,12H2,1H3.
What are the key properties of thiophen-2-ylmethyl 5-aminohexanoate?
thiophen-2-ylmethyl 5-aminohexanoate has a molecular weight of 227.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 5-aminohexanoate is sourced from PubChem (CID 82846568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).