5-bromo-N-(3-methylsulfanylbutyl)pentanamide

C10H20BrNOS — CID 107910619

IUPAC5-bromo-N-(3-methylsulfanylbutyl)pentanamide
SMILESCSC(C)CCNC(=O)CCCCBr
InChIInChI=1S/C10H20BrNOS/c1-9(14-2)6-8-12-10(13)5-3-4-7-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyUZBDLQGEGMTZCX-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.81
Rot. Bonds8

About 5-bromo-N-(3-methylsulfanylbutyl)pentanamide

5-bromo-N-(3-methylsulfanylbutyl)pentanamide (PubChem CID 107910619) has the molecular formula C10H20BrNOS and a molecular weight of 282.25 g/mol. Its IUPAC name is 5-bromo-N-(3-methylsulfanylbutyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylsulfanylbutyl)pentanamide
PubChem CID107910619
Molecular FormulaC10H20BrNOS
Molecular Weight282.25 g/mol
Exact Mass281.04
IUPAC Name5-bromo-N-(3-methylsulfanylbutyl)pentanamide
SMILESCSC(C)CCNC(=O)CCCCBr
InChIInChI=1S/C10H20BrNOS/c1-9(14-2)6-8-12-10(13)5-3-4-7-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyUZBDLQGEGMTZCX-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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'}

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Related Compounds

4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide
CID 115738998
5-bromo-N-(3-hydroxybutyl)pentanamide
CID 107910185
N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide
CID 134403497
2-amino-N-(3-methylsulfanylbutyl)acetamide
CID 115734039
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide
CID 107910118
5-bromo-N-[(E)-pent-3-enyl]pentanamide
CID 107910578
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
CID 107910490
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932
5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
CID 107910537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylsulfanylbutyl)pentanamide?
The IUPAC name of 5-bromo-N-(3-methylsulfanylbutyl)pentanamide (CID 107910619) is 5-bromo-N-(3-methylsulfanylbutyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3-methylsulfanylbutyl)pentanamide?
The canonical SMILES for 5-bromo-N-(3-methylsulfanylbutyl)pentanamide is CSC(C)CCNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(3-methylsulfanylbutyl)pentanamide?
The InChIKey is UZBDLQGEGMTZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNOS/c1-9(14-2)6-8-12-10(13)5-3-4-7-11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-(3-methylsulfanylbutyl)pentanamide?
5-bromo-N-(3-methylsulfanylbutyl)pentanamide has a molecular weight of 282.25 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylsulfanylbutyl)pentanamide is sourced from PubChem (CID 107910619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).