N-(3-bromopropylsulfonyl)acetamide

C5H10BrNO3S — CID 154090839

IUPACN-(3-bromopropylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)CCCBr
InChIInChI=1S/C5H10BrNO3S/c1-5(8)7-11(9,10)4-2-3-6/h2-4H2,1H3,(H,7,8)
InChIKeyQLXDRYZUADIURL-UHFFFAOYSA-N
MW244.11 g/mol
LogP0.24
Rot. Bonds4

About N-(3-bromopropylsulfonyl)acetamide

N-(3-bromopropylsulfonyl)acetamide (PubChem CID 154090839) has the molecular formula C5H10BrNO3S and a molecular weight of 244.11 g/mol. Its IUPAC name is N-(3-bromopropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(3-bromopropylsulfonyl)acetamide
PubChem CID154090839
Molecular FormulaC5H10BrNO3S
Molecular Weight244.11 g/mol
Exact Mass242.96
IUPAC NameN-(3-bromopropylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)CCCBr
InChIInChI=1S/C5H10BrNO3S/c1-5(8)7-11(9,10)4-2-3-6/h2-4H2,1H3,(H,7,8)
InChIKeyQLXDRYZUADIURL-UHFFFAOYSA-N
XLogP0.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-nonylsulfonylacetamide
CID 87711188
N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide
CID 143656831
3-bromo-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 174191027
4-bromo-N-ethylbutane-1-sulfonamide
CID 154346941
N-[4-[2,4,6-tris[(dimethylamino)methyl]phenoxy]butylsulfonyl]acetamide
CID 58820990
2-(acetylsulfamoyl)-N-(trifluoromethylsulfonyl)acetamide
CID 89050003
3-bromopropyl-hydroxy-oxo-sulfanylidene-λ6-sulfane;N,N-dimethylmethanamine
CID 89462708
N-acetylsulfamoyl chloride
CID 21043699
N-[dihydroxy(methyl)-λ4-sulfanyl]acetamide;ethane
CID 143602059
3-bromo-N-phenylpropane-1-sulfonamide
CID 118418114
N-butylsulfonylprop-2-enamide
CID 130339621
N-pentylsulfonylundecanamide
CID 87719410

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropylsulfonyl)acetamide?
The IUPAC name of N-(3-bromopropylsulfonyl)acetamide (CID 154090839) is N-(3-bromopropylsulfonyl)acetamide.
What is the SMILES notation for N-(3-bromopropylsulfonyl)acetamide?
The canonical SMILES for N-(3-bromopropylsulfonyl)acetamide is CC(=O)NS(=O)(=O)CCCBr.
What is the InChIKey of N-(3-bromopropylsulfonyl)acetamide?
The InChIKey is QLXDRYZUADIURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrNO3S/c1-5(8)7-11(9,10)4-2-3-6/h2-4H2,1H3,(H,7,8).
What are the key properties of N-(3-bromopropylsulfonyl)acetamide?
N-(3-bromopropylsulfonyl)acetamide has a molecular weight of 244.11 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropylsulfonyl)acetamide is sourced from PubChem (CID 154090839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).