2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C13H19N3OS — CID 43300945

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSc1ccc(N)cn1
InChIInChI=1S/C13H19N3OS/c1-4-16(8-10(2)3)13(17)9-18-12-6-5-11(14)7-15-12/h5-7H,2,4,8-9,14H2,1,3H3
InChIKeyNUDLCNIWVYIMTM-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.18
Rot. Bonds6

About 2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 43300945) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID43300945
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSc1ccc(N)cn1
InChIInChI=1S/C13H19N3OS/c1-4-16(8-10(2)3)13(17)9-18-12-6-5-11(14)7-15-12/h5-7H,2,4,8-9,14H2,1,3H3
InChIKeyNUDLCNIWVYIMTM-UHFFFAOYSA-N
XLogP2.18
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 43300945) is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CSc1ccc(N)cn1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is NUDLCNIWVYIMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-4-16(8-10(2)3)13(17)9-18-12-6-5-11(14)7-15-12/h5-7H,2,4,8-9,14H2,1,3H3.
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 265.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 43300945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).