ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate

C15H24N4O2S — CID 146301787

IUPACethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(SCCN2CCCCC2)nc1N
InChIInChI=1S/C15H24N4O2S/c1-2-21-15(20)17-12-6-7-13(18-14(12)16)22-11-10-19-8-4-3-5-9-19/h6-7H,2-5,8-11H2,1H3,(H2,16,18)(H,17,20)
InChIKeyZAWJYDRCCFGNQP-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.81
Rot. Bonds6

About ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate

ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate (PubChem CID 146301787) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate
PubChem CID146301787
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Nameethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(SCCN2CCCCC2)nc1N
InChIInChI=1S/C15H24N4O2S/c1-2-21-15(20)17-12-6-7-13(18-14(12)16)22-11-10-19-8-4-3-5-9-19/h6-7H,2-5,8-11H2,1H3,(H2,16,18)(H,17,20)
InChIKeyZAWJYDRCCFGNQP-UHFFFAOYSA-N
XLogP2.81
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate (CID 146301787) is ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(SCCN2CCCCC2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate?
The InChIKey is ZAWJYDRCCFGNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-21-15(20)17-12-6-7-13(18-14(12)16)22-11-10-19-8-4-3-5-9-19/h6-7H,2-5,8-11H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate has a molecular weight of 324.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 146301787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).