methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate

C15H26N2O3S — CID 71806291

IUPACmethyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNC(=O)CSC2CCCC2)CC1
InChIInChI=1S/C15H26N2O3S/c1-20-15(19)17-8-6-12(7-9-17)10-16-14(18)11-21-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,16,18)
InChIKeyCXLXXTIVXDYIKF-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.26
Rot. Bonds5

About methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate

methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 71806291) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate
PubChem CID71806291
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Namemethyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNC(=O)CSC2CCCC2)CC1
InChIInChI=1S/C15H26N2O3S/c1-20-15(19)17-8-6-12(7-9-17)10-16-14(18)11-21-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,16,18)
InChIKeyCXLXXTIVXDYIKF-UHFFFAOYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylthio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide
CID 71806108
N-Formyl-4-(2'-(tert-butoxycarbonylamino)-ethylthiomethyl)-piperidine
CID 20295353
Methyl 4-(3-methylsulfanylpropylcarbamoyl)piperidine-1-carboxylate
CID 57939462
Methyl 4-(2-methylsulfanylethylcarbamoyl)piperidine-1-carboxylate
CID 57939641
Tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate
CID 59862960
Propyl 4-(2-methylsulfanylethylcarbamoyl)piperidine-1-carboxylate
CID 143586656
Methyl 1-[2-(2-aminoethylsulfanyl)acetyl]piperidine-4-carboxylate
CID 43249328
2-(2-Aminoethylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 43249655
Methyl 4-[2-[(2-cyclopentylsulfanylacetyl)amino]ethyl]piperazine-1-carboxylate
CID 49725239
1-acetyl-N-(2-cyclopentylsulfanylethyl)piperidine-4-carboxamide
CID 53514533
tert-butyl N-[[1-[2-(3-methylbutylsulfanyl)acetyl]piperidin-4-yl]methyl]carbamate
CID 56274020
tert-butyl N-[[1-(2-butylsulfanylpropanoyl)piperidin-4-yl]methyl]carbamate
CID 56274274

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate (CID 71806291) is methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate is COC(=O)N1CCC(CNC(=O)CSC2CCCC2)CC1.
What is the InChIKey of methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is CXLXXTIVXDYIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-20-15(19)17-8-6-12(7-9-17)10-16-14(18)11-21-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,16,18).
What are the key properties of methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate?
methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 314.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-cyclopentylsulfanylacetyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71806291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).