5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide

C11H22BrNOS — CID 107910661

IUPAC5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
SMILESCSCCC(C)N(C)C(=O)CCCCBr
InChIInChI=1S/C11H22BrNOS/c1-10(7-9-15-3)13(2)11(14)6-4-5-8-12/h10H,4-9H2,1-3H3
InChIKeyRHZUNCGRQOGUHI-UHFFFAOYSA-N
MW296.27 g/mol
LogP3.15
Rot. Bonds8

About 5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide

5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide (PubChem CID 107910661) has the molecular formula C11H22BrNOS and a molecular weight of 296.27 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
PubChem CID107910661
Molecular FormulaC11H22BrNOS
Molecular Weight296.27 g/mol
Exact Mass295.06
IUPAC Name5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
SMILESCSCCC(C)N(C)C(=O)CCCCBr
InChIInChI=1S/C11H22BrNOS/c1-10(7-9-15-3)13(2)11(14)6-4-5-8-12/h10H,4-9H2,1-3H3
InChIKeyRHZUNCGRQOGUHI-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide 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

(2S)-2-[dodecanoyl(methyl)amino]-4-methylsulfanylbutanoic acid
CID 22811828
N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide
CID 107036026
N-(1-bromopropan-2-yl)-N-methylpentanamide
CID 104556286
propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate
CID 116658052
N-(4-ethylsulfanylbutan-2-yl)-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119817465
N-(4-aminobutan-2-yl)-N-methylheptanamide
CID 114751924
(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 103797449
5-bromo-N,N-diethylpentanamide
CID 11459002
2-(2-cyanophenoxy)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115636256
(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
CID 107910746
1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea
CID 115640922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide?
The IUPAC name of 5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide (CID 107910661) is 5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide?
The canonical SMILES for 5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide is CSCCC(C)N(C)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide?
The InChIKey is RHZUNCGRQOGUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNOS/c1-10(7-9-15-3)13(2)11(14)6-4-5-8-12/h10H,4-9H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide?
5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide has a molecular weight of 296.27 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide is sourced from PubChem (CID 107910661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).