2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide

C12H17N3OS — CID 114233493

IUPAC2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide
SMILESNCC(SCC(=O)NC1CC1)c1cccnc1
InChIInChI=1S/C12H17N3OS/c13-6-11(9-2-1-5-14-7-9)17-8-12(16)15-10-3-4-10/h1-2,5,7,10-11H,3-4,6,8,13H2,(H,15,16)
InChIKeyLYZZOPAOENBRSM-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.09
Rot. Bonds6

About 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide

2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide (PubChem CID 114233493) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide
PubChem CID114233493
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide
SMILESNCC(SCC(=O)NC1CC1)c1cccnc1
InChIInChI=1S/C12H17N3OS/c13-6-11(9-2-1-5-14-7-9)17-8-12(16)15-10-3-4-10/h1-2,5,7,10-11H,3-4,6,8,13H2,(H,15,16)
InChIKeyLYZZOPAOENBRSM-UHFFFAOYSA-N
XLogP1.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide (CID 114233493) is 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide is NCC(SCC(=O)NC1CC1)c1cccnc1.
What is the InChIKey of 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide?
The InChIKey is LYZZOPAOENBRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-6-11(9-2-1-5-14-7-9)17-8-12(16)15-10-3-4-10/h1-2,5,7,10-11H,3-4,6,8,13H2,(H,15,16).
What are the key properties of 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide?
2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide has a molecular weight of 251.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 114233493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).