N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide

C11H21BrN2O2S — CID 115365086

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC1(CBr)CCCC1)N1CCCC1
InChIInChI=1S/C11H21BrN2O2S/c12-9-11(5-1-2-6-11)10-13-17(15,16)14-7-3-4-8-14/h13H,1-10H2
InChIKeyUEQIXIBYGBQTJT-UHFFFAOYSA-N
MW325.27 g/mol
LogP1.87
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide

N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 115365086) has the molecular formula C11H21BrN2O2S and a molecular weight of 325.27 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide
PubChem CID115365086
Molecular FormulaC11H21BrN2O2S
Molecular Weight325.27 g/mol
Exact Mass324.05
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC1(CBr)CCCC1)N1CCCC1
InChIInChI=1S/C11H21BrN2O2S/c12-9-11(5-1-2-6-11)10-13-17(15,16)14-7-3-4-8-14/h13H,1-10H2
InChIKeyUEQIXIBYGBQTJT-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 51.87
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-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
CID 115362877
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950
N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 103967074
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
1-[(azepan-1-ylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312118
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]azepane-1-sulfonamide
CID 120896907
N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide
CID 115456558
N-[(4-hydroxyoxan-4-yl)methyl]azepane-1-sulfonamide
CID 81130828
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-methylbutane-1-sulfonamide
CID 113359999
propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466827
N-ethylazepane-1-sulfonamide
CID 43213421
4-[(piperidin-1-ylsulfonylamino)methyl]oxane-4-carboxylic acid
CID 115438600

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide (CID 115365086) is N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide is O=S(=O)(NCC1(CBr)CCCC1)N1CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is UEQIXIBYGBQTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O2S/c12-9-11(5-1-2-6-11)10-13-17(15,16)14-7-3-4-8-14/h13H,1-10H2.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 325.27 g/mol, XLogP of 1.87, 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]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 115365086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).