N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine

C12H24BrNO2S — CID 106731144

IUPACN-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine
SMILESCCCS(=O)(=O)CCN(CCBr)C1CCCC1
InChIInChI=1S/C12H24BrNO2S/c1-2-10-17(15,16)11-9-14(8-7-13)12-5-3-4-6-12/h12H,2-11H2,1H3
InChIKeyPYDMMFGXESXAJT-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.45
Rot. Bonds8

About N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine

N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine (PubChem CID 106731144) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine
PubChem CID106731144
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine
SMILESCCCS(=O)(=O)CCN(CCBr)C1CCCC1
InChIInChI=1S/C12H24BrNO2S/c1-2-10-17(15,16)11-9-14(8-7-13)12-5-3-4-6-12/h12H,2-11H2,1H3
InChIKeyPYDMMFGXESXAJT-UHFFFAOYSA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine
CID 106731454
N'-cyclopentyl-N'-(2-ethylsulfonylethyl)ethane-1,2-diamine
CID 63761677
N-(2-bromoethyl)-N-pentylcyclobutanamine
CID 102860969
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine
CID 102861077
N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
CID 114526677
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine
CID 102860067
N,N-dipropylcyclodecanamine
CID 139723962
N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine
CID 80674486
N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873337
N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine
CID 102860754

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine (CID 106731144) is N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine is CCCS(=O)(=O)CCN(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine?
The InChIKey is PYDMMFGXESXAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-2-10-17(15,16)11-9-14(8-7-13)12-5-3-4-6-12/h12H,2-11H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine?
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine has a molecular weight of 326.30 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine is sourced from PubChem (CID 106731144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).