4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide

C12H18N2O3S — CID 130228030

IUPAC4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide
SMILESCC(C)CCC(=O)Nc1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C12H18N2O3S/c1-9(2)4-7-12(15)14-11-6-5-10(8-13-11)18(3,16)17/h5-6,8-9H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyIIHBDGYEIPNMKA-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.86
Rot. Bonds5

About 4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide

4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide (PubChem CID 130228030) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide
PubChem CID130228030
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide
SMILESCC(C)CCC(=O)Nc1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C12H18N2O3S/c1-9(2)4-7-12(15)14-11-6-5-10(8-13-11)18(3,16)17/h5-6,8-9H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyIIHBDGYEIPNMKA-UHFFFAOYSA-N
XLogP1.86
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide?
The IUPAC name of 4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide (CID 130228030) is 4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide.
What is the SMILES notation for 4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide?
The canonical SMILES for 4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide is CC(C)CCC(=O)Nc1ccc(S(C)(=O)=O)cn1.
What is the InChIKey of 4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide?
The InChIKey is IIHBDGYEIPNMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)4-7-12(15)14-11-6-5-10(8-13-11)18(3,16)17/h5-6,8-9H,4,7H2,1-3H3,(H,13,14,15).
What are the key properties of 4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide?
4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide has a molecular weight of 270.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methylsulfonyl-2-pyridinyl)pentanamide is sourced from PubChem (CID 130228030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).