N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide

C12H22N2O3S — CID 67472821

IUPACN-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide
SMILESCC(C)C1=CCN(C(=O)CCNS(C)(=O)=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-10(2)11-5-8-14(9-6-11)12(15)4-7-13-18(3,16)17/h5,10,13H,4,6-9H2,1-3H3
InChIKeyBXZNZBJGNJCJPZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.74
Rot. Bonds5

About N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide

N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide (PubChem CID 67472821) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide
PubChem CID67472821
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide
SMILESCC(C)C1=CCN(C(=O)CCNS(C)(=O)=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-10(2)11-5-8-14(9-6-11)12(15)4-7-13-18(3,16)17/h5,10,13H,4,6-9H2,1-3H3
InChIKeyBXZNZBJGNJCJPZ-UHFFFAOYSA-N
XLogP0.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide (CID 67472821) is N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide is CC(C)C1=CCN(C(=O)CCNS(C)(=O)=O)CC1.
What is the InChIKey of N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide?
The InChIKey is BXZNZBJGNJCJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10(2)11-5-8-14(9-6-11)12(15)4-7-13-18(3,16)17/h5,10,13H,4,6-9H2,1-3H3.
What are the key properties of N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide?
N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 67472821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).