N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide

C12H22BrNO2S — CID 105361797

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1(CBr)CCCC1)C1CCCC1
InChIInChI=1S/C12H22BrNO2S/c13-9-12(7-3-4-8-12)10-14-17(15,16)11-5-1-2-6-11/h11,14H,1-10H2
InChIKeyRYOKZSZPRBNAPE-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.80
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide

N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide (PubChem CID 105361797) has the molecular formula C12H22BrNO2S and a molecular weight of 324.28 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
PubChem CID105361797
Molecular FormulaC12H22BrNO2S
Molecular Weight324.28 g/mol
Exact Mass323.06
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1(CBr)CCCC1)C1CCCC1
InChIInChI=1S/C12H22BrNO2S/c13-9-12(7-3-4-8-12)10-14-17(15,16)11-5-1-2-6-11/h11,14H,1-10H2
InChIKeyRYOKZSZPRBNAPE-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 52.80
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-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058817
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521777
N-[(2-bromocyclopentyl)methyl]cyclopentanesulfonamide
CID 105361764
N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
CID 105361775
N-[[1-(bromomethyl)cyclohexyl]methyl]cyclopentanesulfonamide
CID 105361808
N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide
CID 105361855
N-[[1-(aminomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
CID 105361880
N-[2-(2-bromoethyl)pentyl]cyclopentanesulfonamide
CID 106118374
N-[(3-bromocyclopentyl)methyl]-2,2-dimethylpropane-1-sulfonamide
CID 106135105
N-[(3-bromocyclopentyl)methyl]cyclopentanesulfonamide
CID 106135109
N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 106135137
N-(4-bromo-2,2-dimethylbutyl)cyclopentanesulfonamide
CID 106145823

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide (CID 105361797) is N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide is O=S(=O)(NCC1(CBr)CCCC1)C1CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide?
The InChIKey is RYOKZSZPRBNAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2S/c13-9-12(7-3-4-8-12)10-14-17(15,16)11-5-1-2-6-11/h11,14H,1-10H2.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide has a molecular weight of 324.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).