6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine

C11H24BrNO2S — CID 107844658

IUPAC6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
SMILESCC(C)S(=O)(=O)CCNCCCCCCBr
InChIInChI=1S/C11H24BrNO2S/c1-11(2)16(14,15)10-9-13-8-6-4-3-5-7-12/h11,13H,3-10H2,1-2H3
InChIKeyDQPPLARRKHAAEQ-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.35
Rot. Bonds10

About 6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine

6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine (PubChem CID 107844658) has the molecular formula C11H24BrNO2S and a molecular weight of 314.29 g/mol. Its IUPAC name is 6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine.

Molecular Properties

Compound Name6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
PubChem CID107844658
Molecular FormulaC11H24BrNO2S
Molecular Weight314.29 g/mol
Exact Mass313.07
IUPAC Name6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
SMILESCC(C)S(=O)(=O)CCNCCCCCCBr
InChIInChI=1S/C11H24BrNO2S/c1-11(2)16(14,15)10-9-13-8-6-4-3-5-7-12/h11,13H,3-10H2,1-2H3
InChIKeyDQPPLARRKHAAEQ-UHFFFAOYSA-N
XLogP2.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.35
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
5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine
CID 107320276
4-methylsulfanyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106724466
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
CID 106221548
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
3-propan-2-ylsulfonyl-N-propylpropan-1-amine
CID 64675616
3-(2-methylpropoxy)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 114097748
5-bromo-N-(3-methylbutyl)pentan-1-amine
CID 107320246
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine?
The IUPAC name of 6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine (CID 107844658) is 6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine.
What is the SMILES notation for 6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine?
The canonical SMILES for 6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine is CC(C)S(=O)(=O)CCNCCCCCCBr.
What is the InChIKey of 6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine?
The InChIKey is DQPPLARRKHAAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO2S/c1-11(2)16(14,15)10-9-13-8-6-4-3-5-7-12/h11,13H,3-10H2,1-2H3.
What are the key properties of 6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine?
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine has a molecular weight of 314.29 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine is sourced from PubChem (CID 107844658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).