N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide

C11H20BrNO2S — CID 106135109

IUPACN-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1CCC(Br)C1)C1CCCC1
InChIInChI=1S/C11H20BrNO2S/c12-10-6-5-9(7-10)8-13-16(14,15)11-3-1-2-4-11/h9-11,13H,1-8H2
InChIKeyAMNXWLMESIVUDX-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.41
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide

N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide (PubChem CID 106135109) has the molecular formula C11H20BrNO2S and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide
PubChem CID106135109
Molecular FormulaC11H20BrNO2S
Molecular Weight310.26 g/mol
Exact Mass309.04
IUPAC NameN-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1CCC(Br)C1)C1CCCC1
InChIInChI=1S/C11H20BrNO2S/c12-10-6-5-9(7-10)8-13-16(14,15)11-3-1-2-4-11/h9-11,13H,1-8H2
InChIKeyAMNXWLMESIVUDX-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 52.41
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

N-[(2-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060154
N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114148184
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521777
N-[(2-bromocyclopentyl)methyl]cyclopentanesulfonamide
CID 105361764
N-(2-bromo-2-cyclopropylethyl)cyclopentanesulfonamide
CID 105361771
N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
CID 105361775
N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide
CID 105361786
N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide
CID 105361789
N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
CID 105361797
N-[2-(2-bromoethyl)pentyl]butane-1-sulfonamide
CID 106118346
N-[2-(2-bromoethyl)pentyl]-2-methylpropane-1-sulfonamide
CID 106118353
N-[2-(2-bromoethyl)pentyl]propane-1-sulfonamide
CID 106118368

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide (CID 106135109) is N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide is O=S(=O)(NCC1CCC(Br)C1)C1CCCC1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide?
The InChIKey is AMNXWLMESIVUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2S/c12-10-6-5-9(7-10)8-13-16(14,15)11-3-1-2-4-11/h9-11,13H,1-8H2.
What are the key properties of N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide?
N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide has a molecular weight of 310.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide is sourced from PubChem (CID 106135109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).