N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide

C11H20BrNO2S — CID 105361855

IUPACN-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1(CCBr)CC1)C1CCCC1
InChIInChI=1S/C11H20BrNO2S/c12-8-7-11(5-6-11)9-13-16(14,15)10-3-1-2-4-10/h10,13H,1-9H2
InChIKeyJPNWZODHOUIJFJ-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.41
Rot. Bonds6

About N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide

N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide (PubChem CID 105361855) has the molecular formula C11H20BrNO2S and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide
PubChem CID105361855
Molecular FormulaC11H20BrNO2S
Molecular Weight310.26 g/mol
Exact Mass309.04
IUPAC NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1(CCBr)CC1)C1CCCC1
InChIInChI=1S/C11H20BrNO2S/c12-8-7-11(5-6-11)9-13-16(14,15)10-3-1-2-4-10/h10,13H,1-9H2
InChIKeyJPNWZODHOUIJFJ-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide?
The IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide (CID 105361855) is N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide?
The canonical SMILES for N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide is O=S(=O)(NCC1(CCBr)CC1)C1CCCC1.
What is the InChIKey of N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide?
The InChIKey is JPNWZODHOUIJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2S/c12-8-7-11(5-6-11)9-13-16(14,15)10-3-1-2-4-10/h10,13H,1-9H2.
What are the key properties of N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide?
N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide has a molecular weight of 310.26 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).