N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide

C9H18BrNO2S — CID 80663048

IUPACN-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C9H18BrNO2S/c1-9(2,3)14(12,13)11-8-6-4-5-7(8)10/h7-8,11H,4-6H2,1-3H3
InChIKeyJEJTUVDVGBOARA-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.02
Rot. Bonds2

About N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide

N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide (PubChem CID 80663048) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide
PubChem CID80663048
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC NameN-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C9H18BrNO2S/c1-9(2,3)14(12,13)11-8-6-4-5-7(8)10/h7-8,11H,4-6H2,1-3H3
InChIKeyJEJTUVDVGBOARA-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
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 N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide (CID 80663048) is N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide?
The InChIKey is JEJTUVDVGBOARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-9(2,3)14(12,13)11-8-6-4-5-7(8)10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide?
N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide has a molecular weight of 284.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 80663048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).