2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide

C12H19N3O3S — CID 54928443

IUPAC2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C12H19N3O3S/c1-4-7-12(2,13)11(16)15-9-5-6-10(14-8-9)19(3,17)18/h5-6,8H,4,7,13H2,1-3H3,(H,15,16)
InChIKeyGTBWXRNUUXOFEC-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.94
Rot. Bonds5

About 2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide

2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide (PubChem CID 54928443) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide
PubChem CID54928443
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C12H19N3O3S/c1-4-7-12(2,13)11(16)15-9-5-6-10(14-8-9)19(3,17)18/h5-6,8H,4,7,13H2,1-3H3,(H,15,16)
InChIKeyGTBWXRNUUXOFEC-UHFFFAOYSA-N
XLogP0.94
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide?
The IUPAC name of 2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide (CID 54928443) is 2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide is CCCC(C)(N)C(=O)Nc1ccc(S(C)(=O)=O)nc1.
What is the InChIKey of 2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide?
The InChIKey is GTBWXRNUUXOFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-7-12(2,13)11(16)15-9-5-6-10(14-8-9)19(3,17)18/h5-6,8H,4,7,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide?
2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide has a molecular weight of 285.37 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)pentanamide is sourced from PubChem (CID 54928443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).