1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide

C11H22BrNO2S — CID 83086194

IUPAC1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide
SMILESCC(C)CC1(CNS(=O)(=O)CBr)CCCC1
InChIInChI=1S/C11H22BrNO2S/c1-10(2)7-11(5-3-4-6-11)8-13-16(14,15)9-12/h10,13H,3-9H2,1-2H3
InChIKeyQCIZSLDXNKLUFQ-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.86
Rot. Bonds6

About 1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide

1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide (PubChem CID 83086194) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is 1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide
PubChem CID83086194
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC Name1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide
SMILESCC(C)CC1(CNS(=O)(=O)CBr)CCCC1
InChIInChI=1S/C11H22BrNO2S/c1-10(2)7-11(5-3-4-6-11)8-13-16(14,15)9-12/h10,13H,3-9H2,1-2H3
InChIKeyQCIZSLDXNKLUFQ-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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 1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide (CID 83086194) is 1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide is CC(C)CC1(CNS(=O)(=O)CBr)CCCC1.
What is the InChIKey of 1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide?
The InChIKey is QCIZSLDXNKLUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-10(2)7-11(5-3-4-6-11)8-13-16(14,15)9-12/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide?
1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanesulfonamide is sourced from PubChem (CID 83086194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).