3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide

C16H19N3OS — CID 43299701

IUPAC3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide
SMILESCC(C)(CSc1ccncc1N)C(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3OS/c1-16(2,11-21-14-8-9-18-10-13(14)17)15(20)19-12-6-4-3-5-7-12/h3-10H,11,17H2,1-2H3,(H,19,20)
InChIKeyRJJSPPJNLUUOPA-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.42
Rot. Bonds5

About 3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide

3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide (PubChem CID 43299701) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide
PubChem CID43299701
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide
SMILESCC(C)(CSc1ccncc1N)C(=O)Nc1ccccc1
InChIInChI=1S/C16H19N3OS/c1-16(2,11-21-14-8-9-18-10-13(14)17)15(20)19-12-6-4-3-5-7-12/h3-10H,11,17H2,1-2H3,(H,19,20)
InChIKeyRJJSPPJNLUUOPA-UHFFFAOYSA-N
XLogP3.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide (CID 43299701) is 3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for 3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for 3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide is CC(C)(CSc1ccncc1N)C(=O)Nc1ccccc1.
What is the InChIKey of 3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is RJJSPPJNLUUOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-16(2,11-21-14-8-9-18-10-13(14)17)15(20)19-12-6-4-3-5-7-12/h3-10H,11,17H2,1-2H3,(H,19,20).
What are the key properties of 3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide?
3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 301.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-pyridinyl)sulfanyl]-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 43299701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).