5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide

C10H20BrNOS — CID 107910118

IUPAC5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide
SMILESCSCC(C)CNC(=O)CCCCBr
InChIInChI=1S/C10H20BrNOS/c1-9(8-14-2)7-12-10(13)5-3-4-6-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyINIJYNVOZGTRFY-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.67
Rot. Bonds8

About 5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide

5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide (PubChem CID 107910118) has the molecular formula C10H20BrNOS and a molecular weight of 282.25 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide
PubChem CID107910118
Molecular FormulaC10H20BrNOS
Molecular Weight282.25 g/mol
Exact Mass281.04
IUPAC Name5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide
SMILESCSCC(C)CNC(=O)CCCCBr
InChIInChI=1S/C10H20BrNOS/c1-9(8-14-2)7-12-10(13)5-3-4-6-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyINIJYNVOZGTRFY-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
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-(2-methyl-3-methylsulfanylpropyl)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

6-[(2-methyl-3-methylsulfanylpropyl)amino]-6-oxohexanoic acid
CID 63980810
N-(2-methyl-3-methylsulfanylpropyl)-3-oxobutanamide
CID 63960200
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63959776
5-bromo-N-(3-methylsulfanylbutyl)pentanamide
CID 107910619
5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107910399
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]-5-oxopentanoic acid
CID 63958104
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
5-bromo-N-(3-hydroxybutyl)pentanamide
CID 107910185
5-bromo-N-(3-methylbutan-2-yl)pentanamide
CID 107907391
N-(2-methylpentyl)hexanamide
CID 173325003
N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
CID 63967363
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide?
The IUPAC name of 5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide (CID 107910118) is 5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide is CSCC(C)CNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide?
The InChIKey is INIJYNVOZGTRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNOS/c1-9(8-14-2)7-12-10(13)5-3-4-6-11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide?
5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide has a molecular weight of 282.25 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide is sourced from PubChem (CID 107910118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).