tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate

C15H24N2O2S — CID 70845509

IUPACtert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate
SMILESCc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)sc1N
InChIInChI=1S/C15H24N2O2S/c1-10-8-12(20-13(10)16)11-6-5-7-17(9-11)14(18)19-15(2,3)4/h8,11H,5-7,9,16H2,1-4H3
InChIKeyOHDFNDBRKOJCQG-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.75
Rot. Bonds1

About tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate

tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate (PubChem CID 70845509) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate
PubChem CID70845509
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nametert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate
SMILESCc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)sc1N
InChIInChI=1S/C15H24N2O2S/c1-10-8-12(20-13(10)16)11-6-5-7-17(9-11)14(18)19-15(2,3)4/h8,11H,5-7,9,16H2,1-4H3
InChIKeyOHDFNDBRKOJCQG-UHFFFAOYSA-N
XLogP3.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate
CID 153291320
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-(5-amino-4-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate;tert-butyl 3-(2-oxoethyl)piperidine-1-carboxylate;ethyl 2-cyanoacetate;methane
CID 159490325
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009
tert-butyl 3-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103700052
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate (CID 70845509) is tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate is Cc1cc(C2CCCN(C(=O)OC(C)(C)C)C2)sc1N.
What is the InChIKey of tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate?
The InChIKey is OHDFNDBRKOJCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-8-12(20-13(10)16)11-6-5-7-17(9-11)14(18)19-15(2,3)4/h8,11H,5-7,9,16H2,1-4H3.
What are the key properties of tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-amino-4-methylthiophen-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 70845509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).