1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide

C8H18BrNO2S — CID 83092799

IUPAC1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)CBr
InChIInChI=1S/C8H18BrNO2S/c1-7(2)4-5-8(3)10-13(11,12)6-9/h7-8,10H,4-6H2,1-3H3
InChIKeyWKYZAVRMLXIFOQ-UHFFFAOYSA-N
MW272.21 g/mol
LogP2.08
Rot. Bonds6

About 1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide

1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide (PubChem CID 83092799) has the molecular formula C8H18BrNO2S and a molecular weight of 272.21 g/mol. Its IUPAC name is 1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide
PubChem CID83092799
Molecular FormulaC8H18BrNO2S
Molecular Weight272.21 g/mol
Exact Mass271.02
IUPAC Name1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)CBr
InChIInChI=1S/C8H18BrNO2S/c1-7(2)4-5-8(3)10-13(11,12)6-9/h7-8,10H,4-6H2,1-3H3
InChIKeyWKYZAVRMLXIFOQ-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-N-(5-hydroxypentan-2-yl)methanesulfonamide
CID 83086597
N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 63926727
3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
CID 43578597
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965
N-butan-2-yl-3-methylbutane-1-sulfonamide
CID 63373512
1-bromo-N-(1-ethoxypropan-2-yl)methanesulfonamide
CID 83086572
1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 83085970
N-(4-hydroxybutan-2-yl)-2-methylsulfonylethanesulfonamide
CID 115477904
1-bromo-N-(3-methylpentan-2-yl)methanesulfonamide
CID 83086988
1-bromo-N-but-3-yn-2-ylmethanesulfonamide
CID 114418738
N-(4-bromobutan-2-yl)-2-ethoxyethanesulfonamide
CID 83179051
1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide
CID 43579028

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide (CID 83092799) is 1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide is CC(C)CCC(C)NS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide?
The InChIKey is WKYZAVRMLXIFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2S/c1-7(2)4-5-8(3)10-13(11,12)6-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide?
1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide has a molecular weight of 272.21 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide is sourced from PubChem (CID 83092799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).