5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine

C8H18BrNO2S — CID 107320276

IUPAC5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine
SMILESCS(=O)(=O)CCNCCCCCBr
InChIInChI=1S/C8H18BrNO2S/c1-13(11,12)8-7-10-6-4-2-3-5-9/h10H,2-8H2,1H3
InChIKeyWQUHYZQNDCHCLH-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.19
Rot. Bonds8

About 5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine

5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine (PubChem CID 107320276) has the molecular formula C8H18BrNO2S and a molecular weight of 272.21 g/mol. Its IUPAC name is 5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine
PubChem CID107320276
Molecular FormulaC8H18BrNO2S
Molecular Weight272.21 g/mol
Exact Mass271.02
IUPAC Name5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine
SMILESCS(=O)(=O)CCNCCCCCBr
InChIInChI=1S/C8H18BrNO2S/c1-13(11,12)8-7-10-6-4-2-3-5-9/h10H,2-8H2,1H3
InChIKeyWQUHYZQNDCHCLH-UHFFFAOYSA-N
XLogP1.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.19
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

6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine
CID 107844608
N-(2-methylsulfonylethyl)nonan-1-amine
CID 60918921
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
N-(5-bromopentyl)methanesulfonamide
CID 107323102
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115
N-(5-bromopentyl)octan-1-amine
CID 107320236
5-bromo-N-pentylpentan-1-amine
CID 107320303
6-bromo-N-pentylhexan-1-amine
CID 107844161
N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine
CID 115577345
N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62560122
N-(2-iodoethyl)-2-methylsulfonylethanamine
CID 114505554
5-bromo-N-ethylpentan-1-amine
CID 104505485

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine?
The IUPAC name of 5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine (CID 107320276) is 5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine.
What is the SMILES notation for 5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine?
The canonical SMILES for 5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine is CS(=O)(=O)CCNCCCCCBr.
What is the InChIKey of 5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine?
The InChIKey is WQUHYZQNDCHCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2S/c1-13(11,12)8-7-10-6-4-2-3-5-9/h10H,2-8H2,1H3.
What are the key properties of 5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine?
5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine has a molecular weight of 272.21 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine is sourced from PubChem (CID 107320276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).