2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide

C15H26N2O4S — CID 87103475

IUPAC2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide
SMILESCC(=O)CCNC(=O)CC(SCCC(=O)C(C)(C)C)C(N)=O
InChIInChI=1S/C15H26N2O4S/c1-10(18)5-7-17-13(20)9-11(14(16)21)22-8-6-12(19)15(2,3)4/h11H,5-9H2,1-4H3,(H2,16,21)(H,17,20)
InChIKeyFWYPBOSTFLFJFR-UHFFFAOYSA-N
MW330.45 g/mol
LogP1.06
Rot. Bonds10

About 2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide

2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide (PubChem CID 87103475) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide
PubChem CID87103475
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide
SMILESCC(=O)CCNC(=O)CC(SCCC(=O)C(C)(C)C)C(N)=O
InChIInChI=1S/C15H26N2O4S/c1-10(18)5-7-17-13(20)9-11(14(16)21)22-8-6-12(19)15(2,3)4/h11H,5-9H2,1-4H3,(H2,16,21)(H,17,20)
InChIKeyFWYPBOSTFLFJFR-UHFFFAOYSA-N
XLogP1.06
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide 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

3-oxo-N-(3-oxobutyl)butanamide
CID 159841934
ethane;N'-[2-(2-methylpropoxy)ethyl]-2-(3-oxobutylsulfanyl)-N-(2-propoxyethyl)butanediamide
CID 178008011
1-[(4,4-dimethyl-3-oxopentyl)disulfanyl]-4,4-dimethylpentan-3-one
CID 118403333
2-bromo-N-(3-oxobutyl)acetamide
CID 58311881
2-amino-6-(propanoylamino)hexanamide;N-(3-oxobutyl)propanamide
CID 91198977
3-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)propanamide
CID 167491105
5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide
CID 123850172
6,6-dimethylheptane-2,5-dione;5,5-dimethylhexane-2,4-dione;4,4-dimethylpentane-2,3-dione
CID 158903230
1-[2-(tert-butylamino)ethyldisulfanyl]-4,4-dimethylpentan-3-one
CID 118887193
5,5-dimethylhexane-2,4-dione;propan-2-one;zirconium
CID 174907853
2-[(4,4-dimethyl-3-oxopentyl)sulfanylcarbonylamino]ethyl 2-methylprop-2-enoate
CID 121300694
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide?
The IUPAC name of 2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide (CID 87103475) is 2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide.
What is the SMILES notation for 2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide?
The canonical SMILES for 2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide is CC(=O)CCNC(=O)CC(SCCC(=O)C(C)(C)C)C(N)=O.
What is the InChIKey of 2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide?
The InChIKey is FWYPBOSTFLFJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-10(18)5-7-17-13(20)9-11(14(16)21)22-8-6-12(19)15(2,3)4/h11H,5-9H2,1-4H3,(H2,16,21)(H,17,20).
What are the key properties of 2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide?
2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide has a molecular weight of 330.45 g/mol, XLogP of 1.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-3-oxopentyl)sulfanyl-N'-(3-oxobutyl)butanediamide is sourced from PubChem (CID 87103475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).