N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide

C11H22BrNO2S — CID 105361787

IUPACN-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide
SMILESCC(C)CC(CBr)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H22BrNO2S/c1-9(2)7-10(8-12)13-16(14,15)11-5-3-4-6-11/h9-11,13H,3-8H2,1-2H3
InChIKeyNGRAZEJQBDQYIO-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.66
Rot. Bonds6

About N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide

N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide (PubChem CID 105361787) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide
PubChem CID105361787
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide
SMILESCC(C)CC(CBr)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H22BrNO2S/c1-9(2)7-10(8-12)13-16(14,15)11-5-3-4-6-11/h9-11,13H,3-8H2,1-2H3
InChIKeyNGRAZEJQBDQYIO-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.66
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-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide?
The IUPAC name of N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide (CID 105361787) is N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide is CC(C)CC(CBr)NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide?
The InChIKey is NGRAZEJQBDQYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-9(2)7-10(8-12)13-16(14,15)11-5-3-4-6-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide?
N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-2-yl)cyclopentanesulfonamide is sourced from PubChem (CID 105361787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).