6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine

C9H20BrNO2S — CID 107844608

IUPAC6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine
SMILESCS(=O)(=O)CCNCCCCCCBr
InChIInChI=1S/C9H20BrNO2S/c1-14(12,13)9-8-11-7-5-3-2-4-6-10/h11H,2-9H2,1H3
InChIKeyNHLYHLJFBBNEEJ-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.58
Rot. Bonds9

About 6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine

6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine (PubChem CID 107844608) has the molecular formula C9H20BrNO2S and a molecular weight of 286.24 g/mol. Its IUPAC name is 6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine
PubChem CID107844608
Molecular FormulaC9H20BrNO2S
Molecular Weight286.24 g/mol
Exact Mass285.04
IUPAC Name6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine
SMILESCS(=O)(=O)CCNCCCCCCBr
InChIInChI=1S/C9H20BrNO2S/c1-14(12,13)9-8-11-7-5-3-2-4-6-10/h11H,2-9H2,1H3
InChIKeyNHLYHLJFBBNEEJ-UHFFFAOYSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.58
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

5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine
CID 107320276
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 6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine?
The IUPAC name of 6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine (CID 107844608) is 6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine.
What is the SMILES notation for 6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine?
The canonical SMILES for 6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine is CS(=O)(=O)CCNCCCCCCBr.
What is the InChIKey of 6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine?
The InChIKey is NHLYHLJFBBNEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO2S/c1-14(12,13)9-8-11-7-5-3-2-4-6-10/h11H,2-9H2,1H3.
What are the key properties of 6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine?
6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine has a molecular weight of 286.24 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine is sourced from PubChem (CID 107844608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).