2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide

C8H16BrNOS — CID 107905788

IUPAC2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide
SMILESCCSCC(C)NC(=O)C(C)Br
InChIInChI=1S/C8H16BrNOS/c1-4-12-5-6(2)10-8(11)7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyHRYANESMZYCEFW-UHFFFAOYSA-N
MW254.19 g/mol
LogP2.03
Rot. Bonds5

About 2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide

2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide (PubChem CID 107905788) has the molecular formula C8H16BrNOS and a molecular weight of 254.19 g/mol. Its IUPAC name is 2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide
PubChem CID107905788
Molecular FormulaC8H16BrNOS
Molecular Weight254.19 g/mol
Exact Mass253.01
IUPAC Name2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide
SMILESCCSCC(C)NC(=O)C(C)Br
InChIInChI=1S/C8H16BrNOS/c1-4-12-5-6(2)10-8(11)7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyHRYANESMZYCEFW-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethylsulfanylpropan-2-yl)-3-methylurea
CID 115661079
2-bromo-N-pentan-2-ylpropanamide
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(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)hexanamide
CID 103831790
4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 115662215
2-amino-N-(1-ethylsulfanylpropan-2-yl)-2-(4-methylphenyl)acetamide
CID 114150574
N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209
2-amino-N-(1-ethylsulfanylpropan-2-yl)-3-phenylpropanamide
CID 113264230
(2R)-2-(1-ethylsulfanylpropan-2-ylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 113499263
4-bromo-N-(1-ethylsulfanylpropan-2-yl)-2,6-difluorobenzamide
CID 115686786
2-(2-aminoethoxy)-N-(1-ethylsulfanylpropan-2-yl)acetamide
CID 115739921
N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide
CID 91058141
2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 103883078

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide?
The IUPAC name of 2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide (CID 107905788) is 2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide.
What is the SMILES notation for 2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide?
The canonical SMILES for 2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide is CCSCC(C)NC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide?
The InChIKey is HRYANESMZYCEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNOS/c1-4-12-5-6(2)10-8(11)7(3)9/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide?
2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide has a molecular weight of 254.19 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-ethylsulfanylpropan-2-yl)propanamide is sourced from PubChem (CID 107905788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).