2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide

C12H23NO4S — CID 176788202

IUPAC2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide
SMILESCC(C)C(=O)CCCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C12H23NO4S/c1-9(2)11(14)7-5-6-8-18(16,17)13-12(15)10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKeyXMOSDMQGTHRDID-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.48
Rot. Bonds8

About 2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide

2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide (PubChem CID 176788202) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide
PubChem CID176788202
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide
SMILESCC(C)C(=O)CCCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C12H23NO4S/c1-9(2)11(14)7-5-6-8-18(16,17)13-12(15)10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKeyXMOSDMQGTHRDID-UHFFFAOYSA-N
XLogP1.48
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethylsulfonyl-2-methylheptan-3-one
CID 65098289
2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide
CID 167520554
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
9-methyl-8-oxodecanamide
CID 168891746
14-methylpentadecane-2,13-dione
CID 88544438
2-methylhexadecan-3-one
CID 58030381
N-pentylsulfonylundecanamide
CID 87719410
2,8-dimethylnon-8-en-3-one
CID 114477246
2-amino-N-propylsulfonylpropanamide
CID 103307200
6-bromo-2-methylhexan-3-one
CID 12643721
2-methylheptan-3-one;hydrate
CID 176897102
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide?
The IUPAC name of 2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide (CID 176788202) is 2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide?
The canonical SMILES for 2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide is CC(C)C(=O)CCCCS(=O)(=O)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide?
The InChIKey is XMOSDMQGTHRDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-9(2)11(14)7-5-6-8-18(16,17)13-12(15)10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide?
2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide is sourced from PubChem (CID 176788202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).