N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

C14H20N4O2S — CID 119516510

IUPACN-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESNc1ccc(NC(=O)CSCC(=O)N2CCCCC2)cn1
InChIInChI=1S/C14H20N4O2S/c15-12-5-4-11(8-16-12)17-13(19)9-21-10-14(20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10H2,(H2,15,16)(H,17,19)
InChIKeyHMBNLWQJKQFGRF-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.35
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (PubChem CID 119516510) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
PubChem CID119516510
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESNc1ccc(NC(=O)CSCC(=O)N2CCCCC2)cn1
InChIInChI=1S/C14H20N4O2S/c15-12-5-4-11(8-16-12)17-13(19)9-21-10-14(20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10H2,(H2,15,16)(H,17,19)
InChIKeyHMBNLWQJKQFGRF-UHFFFAOYSA-N
XLogP1.35
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (CID 119516510) is N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is Nc1ccc(NC(=O)CSCC(=O)N2CCCCC2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The InChIKey is HMBNLWQJKQFGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c15-12-5-4-11(8-16-12)17-13(19)9-21-10-14(20)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10H2,(H2,15,16)(H,17,19).
What are the key properties of N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide has a molecular weight of 308.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is sourced from PubChem (CID 119516510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).