1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide

C8H18BrNO2S — CID 83084972

IUPAC1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)CN(C(C)C)S(=O)(=O)CBr
InChIInChI=1S/C8H18BrNO2S/c1-7(2)5-10(8(3)4)13(11,12)6-9/h7-8H,5-6H2,1-4H3
InChIKeyQVHUDGCTQMHGQY-UHFFFAOYSA-N
MW272.21 g/mol
LogP2.04
Rot. Bonds5

About 1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide

1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 83084972) has the molecular formula C8H18BrNO2S and a molecular weight of 272.21 g/mol. Its IUPAC name is 1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide
PubChem CID83084972
Molecular FormulaC8H18BrNO2S
Molecular Weight272.21 g/mol
Exact Mass271.02
IUPAC Name1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)CN(C(C)C)S(=O)(=O)CBr
InChIInChI=1S/C8H18BrNO2S/c1-7(2)5-10(8(3)4)13(11,12)6-9/h7-8H,5-6H2,1-4H3
InChIKeyQVHUDGCTQMHGQY-UHFFFAOYSA-N
XLogP2.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide (CID 83084972) is 1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide is CC(C)CN(C(C)C)S(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is QVHUDGCTQMHGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2S/c1-7(2)5-10(8(3)4)13(11,12)6-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide?
1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 272.21 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-methylpropyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 83084972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).