1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide

C7H16BrNO3S — CID 107203162

IUPAC1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)CBr
InChIInChI=1S/C7H16BrNO3S/c1-9(13(11,12)7-8)5-3-2-4-6-10/h10H,2-7H2,1H3
InChIKeyHZDLTWDOCOFZFX-UHFFFAOYSA-N
MW274.18 g/mol
LogP0.76
Rot. Bonds7

About 1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide

1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide (PubChem CID 107203162) has the molecular formula C7H16BrNO3S and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide
PubChem CID107203162
Molecular FormulaC7H16BrNO3S
Molecular Weight274.18 g/mol
Exact Mass273.00
IUPAC Name1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)CBr
InChIInChI=1S/C7H16BrNO3S/c1-9(13(11,12)7-8)5-3-2-4-6-10/h10H,2-7H2,1H3
InChIKeyHZDLTWDOCOFZFX-UHFFFAOYSA-N
XLogP0.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 50.76
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-(5-hydroxypentyl)-N-methyl-1-phenylmethanesulfonamide
CID 103924551
1-bromo-N-(2-fluoroethyl)-N-methylmethanesulfonamide
CID 131042930
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
CID 107198654
1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide
CID 107199708
1-[tert-butylsulfamoyl(methyl)amino]-5-hydroxypentane
CID 107203013
3-bromo-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107198834
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
CID 107910777
3-[6-hydroxyhexyl(methyl)amino]propane-1-sulfonic acid
CID 90429262
N-(5-hydroxypentyl)-N-methylpiperazine-1-sulfonamide
CID 107200583
2-(2-aminophenyl)sulfanyl-N-(5-hydroxypentyl)-N-methylethanesulfonamide
CID 107197591
N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide
CID 107206313

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide (CID 107203162) is 1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide is CN(CCCCCO)S(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide?
The InChIKey is HZDLTWDOCOFZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrNO3S/c1-9(13(11,12)7-8)5-3-2-4-6-10/h10H,2-7H2,1H3.
What are the key properties of 1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide?
1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide has a molecular weight of 274.18 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 107203162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).