N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide

C12H22BrNO2S — CID 105361775

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1CCCC1CBr)C1CCCC1
InChIInChI=1S/C12H22BrNO2S/c13-8-10-4-3-5-11(10)9-14-17(15,16)12-6-1-2-7-12/h10-12,14H,1-9H2
InChIKeyYOFQTFBJYIGCSP-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.66
Rot. Bonds5

About N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide

N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide (PubChem CID 105361775) has the molecular formula C12H22BrNO2S and a molecular weight of 324.28 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
PubChem CID105361775
Molecular FormulaC12H22BrNO2S
Molecular Weight324.28 g/mol
Exact Mass323.06
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1CCCC1CBr)C1CCCC1
InChIInChI=1S/C12H22BrNO2S/c13-8-10-4-3-5-11(10)9-14-17(15,16)12-6-1-2-7-12/h10-12,14H,1-9H2
InChIKeyYOFQTFBJYIGCSP-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide (CID 105361775) is N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide is O=S(=O)(NCC1CCCC1CBr)C1CCCC1.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide?
The InChIKey is YOFQTFBJYIGCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2S/c13-8-10-4-3-5-11(10)9-14-17(15,16)12-6-1-2-7-12/h10-12,14H,1-9H2.
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide has a molecular weight of 324.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).