2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide

C12H19N3O3S — CID 114598760

IUPAC2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-4-7-14-12(16)9(2)15-11-10(19(3,17)18)6-5-8-13-11/h5-6,8-9H,4,7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyYWDSBROXJGDBDX-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.81
Rot. Bonds6

About 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide

2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide (PubChem CID 114598760) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
PubChem CID114598760
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-4-7-14-12(16)9(2)15-11-10(19(3,17)18)6-5-8-13-11/h5-6,8-9H,4,7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyYWDSBROXJGDBDX-UHFFFAOYSA-N
XLogP0.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide (CID 114598760) is 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide?
The InChIKey is YWDSBROXJGDBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-7-14-12(16)9(2)15-11-10(19(3,17)18)6-5-8-13-11/h5-6,8-9H,4,7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide?
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide has a molecular weight of 285.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide is sourced from PubChem (CID 114598760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).