methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate

C13H17NO3S2 — CID 78986623

IUPACmethyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)CSc1cccs1
InChIInChI=1S/C13H17NO3S2/c1-17-13(16)10-5-2-3-7-14(10)11(15)9-19-12-6-4-8-18-12/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyKVXPZFPYOVDYFO-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.39
Rot. Bonds4

About methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate

methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate (PubChem CID 78986623) has the molecular formula C13H17NO3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate
PubChem CID78986623
Molecular FormulaC13H17NO3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Namemethyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)CSc1cccs1
InChIInChI=1S/C13H17NO3S2/c1-17-13(16)10-5-2-3-7-14(10)11(15)9-19-12-6-4-8-18-12/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyKVXPZFPYOVDYFO-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylate
CID 43422559
methyl 1-(2-amino-2-thiophen-2-ylacetyl)piperidine-2-carboxylate
CID 115286566
methyl 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409923
methyl 1-[2-(4-fluorophenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43409959
methyl 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyrrolidine-2-carboxylate
CID 43410178
methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate
CID 78926910
2-methyl-1-(2-thiophen-2-ylsulfanylacetyl)pyrrolidine-3-carboxylic acid
CID 79364296
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
CID 79835578
methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
CID 115535987
methyl (2R)-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-2-carboxylate
CID 79835990
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate (CID 78986623) is methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)CSc1cccs1.
What is the InChIKey of methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate?
The InChIKey is KVXPZFPYOVDYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S2/c1-17-13(16)10-5-2-3-7-14(10)11(15)9-19-12-6-4-8-18-12/h4,6,8,10H,2-3,5,7,9H2,1H3.
What are the key properties of methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate?
methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate has a molecular weight of 299.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-thiophen-2-ylsulfanylacetyl)piperidine-2-carboxylate is sourced from PubChem (CID 78986623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).