N-(5-bromopentyl)-2-methylsulfanylacetamide

C8H16BrNOS — CID 107321815

IUPACN-(5-bromopentyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCCCCCBr
InChIInChI=1S/C8H16BrNOS/c1-12-7-8(11)10-6-4-2-3-5-9/h2-7H2,1H3,(H,10,11)
InChIKeyWMYDJPOFPIAULC-UHFFFAOYSA-N
MW254.19 g/mol
LogP2.03
Rot. Bonds7

About N-(5-bromopentyl)-2-methylsulfanylacetamide

N-(5-bromopentyl)-2-methylsulfanylacetamide (PubChem CID 107321815) has the molecular formula C8H16BrNOS and a molecular weight of 254.19 g/mol. Its IUPAC name is N-(5-bromopentyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2-methylsulfanylacetamide
PubChem CID107321815
Molecular FormulaC8H16BrNOS
Molecular Weight254.19 g/mol
Exact Mass253.01
IUPAC NameN-(5-bromopentyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NCCCCCBr
InChIInChI=1S/C8H16BrNOS/c1-12-7-8(11)10-6-4-2-3-5-9/h2-7H2,1H3,(H,10,11)
InChIKeyWMYDJPOFPIAULC-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 52.03
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

N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen
CID 153333339
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
N-(6-bromohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107847524
N-(5-methylsulfanylpentyl)propanamide
CID 104920124
N-(6-bromohexyl)-2,3-dimethylbutanamide
CID 107847756
N-(5-bromopentyl)-4-methylsulfanylbenzamide
CID 107322033
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932
N-(5-bromopentyl)-2-cyclobutylacetamide
CID 107322053
ethyl N-(6-bromohexyl)carbamate
CID 87279639
tert-butyl N-(12-bromododecyl)carbamate
CID 4206147
N-[5-(benzenesulfonamido)pentyl]-2-methylsulfanylacetamide;N-[5-(benzenesulfonamido)pentyl]propanamide
CID 143199126
2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide
CID 170359661

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(5-bromopentyl)-2-methylsulfanylacetamide (CID 107321815) is N-(5-bromopentyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(5-bromopentyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(5-bromopentyl)-2-methylsulfanylacetamide is CSCC(=O)NCCCCCBr.
What is the InChIKey of N-(5-bromopentyl)-2-methylsulfanylacetamide?
The InChIKey is WMYDJPOFPIAULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNOS/c1-12-7-8(11)10-6-4-2-3-5-9/h2-7H2,1H3,(H,10,11).
What are the key properties of N-(5-bromopentyl)-2-methylsulfanylacetamide?
N-(5-bromopentyl)-2-methylsulfanylacetamide has a molecular weight of 254.19 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 107321815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).