N-(5-bromopentyl)-2-methoxyethanesulfonamide

C8H18BrNO3S — CID 107323052

IUPACN-(5-bromopentyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCCCCBr
InChIInChI=1S/C8H18BrNO3S/c1-13-7-8-14(11,12)10-6-4-2-3-5-9/h10H,2-8H2,1H3
InChIKeySRNOCPAODZKYPV-UHFFFAOYSA-N
MW288.21 g/mol
LogP1.12
Rot. Bonds9

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

N-(5-bromopentyl)-2-methoxyethanesulfonamide (PubChem CID 107323052) has the molecular formula C8H18BrNO3S and a molecular weight of 288.21 g/mol. Its IUPAC name is N-(5-bromopentyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2-methoxyethanesulfonamide
PubChem CID107323052
Molecular FormulaC8H18BrNO3S
Molecular Weight288.21 g/mol
Exact Mass287.02
IUPAC NameN-(5-bromopentyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCCCCBr
InChIInChI=1S/C8H18BrNO3S/c1-13-7-8-14(11,12)10-6-4-2-3-5-9/h10H,2-8H2,1H3
InChIKeySRNOCPAODZKYPV-UHFFFAOYSA-N
XLogP1.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115
N-[3-(2-methoxyethylsulfonylamino)propyl]acetamide
CID 110309562
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786
1-bromo-4-(2-methoxyethylsulfonyl)butane
CID 43445961
N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 107322937

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(5-bromopentyl)-2-methoxyethanesulfonamide (CID 107323052) is N-(5-bromopentyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(5-bromopentyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(5-bromopentyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCCCCCBr.
What is the InChIKey of N-(5-bromopentyl)-2-methoxyethanesulfonamide?
The InChIKey is SRNOCPAODZKYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO3S/c1-13-7-8-14(11,12)10-6-4-2-3-5-9/h10H,2-8H2,1H3.
What are the key properties of N-(5-bromopentyl)-2-methoxyethanesulfonamide?
N-(5-bromopentyl)-2-methoxyethanesulfonamide has a molecular weight of 288.21 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 107323052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).