2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid

C14H21NO2S2 — CID 66422373

IUPAC2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid
SMILESCCc1ccc(C(C)N2CCSCC2CC(=O)O)s1
InChIInChI=1S/C14H21NO2S2/c1-3-12-4-5-13(19-12)10(2)15-6-7-18-9-11(15)8-14(16)17/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyHRVKMJAQHBKRSW-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.26
Rot. Bonds5

About 2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid

2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid (PubChem CID 66422373) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid
PubChem CID66422373
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC Name2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid
SMILESCCc1ccc(C(C)N2CCSCC2CC(=O)O)s1
InChIInChI=1S/C14H21NO2S2/c1-3-12-4-5-13(19-12)10(2)15-6-7-18-9-11(15)8-14(16)17/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyHRVKMJAQHBKRSW-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-ethylthiophen-2-yl)methyl]thiomorpholin-3-yl]acetic acid
CID 66445157
2-[4-[1-(4-methoxyphenyl)ethyl]thiomorpholin-3-yl]acetic acid
CID 66421382
2-[4-(3-methylpentan-2-yl)thiomorpholin-3-yl]acetic acid
CID 66421985
2-[4-[1-(2-methoxy-5-methylphenyl)ethyl]thiomorpholin-3-yl]acetic acid
CID 66419993
[1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80505440
2-[4-[2-(5-bromothiophen-2-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210832
3-[4-[1-(5-ethylthiophen-2-yl)ethyl]piperazin-1-yl]propanoic acid
CID 65053856
2-[4-[1-(2-methoxyphenyl)propan-2-yl]thiomorpholin-3-yl]acetic acid
CID 66443617
1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65064663
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 66383126
N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550991
2-[4-(2,2,2-trifluoroethyl)thiomorpholin-3-yl]acetic acid
CID 66444400

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid (CID 66422373) is 2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid is CCc1ccc(C(C)N2CCSCC2CC(=O)O)s1.
What is the InChIKey of 2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is HRVKMJAQHBKRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-3-12-4-5-13(19-12)10(2)15-6-7-18-9-11(15)8-14(16)17/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid?
2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 299.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66422373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).