N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine

C11H22BrNO2S — CID 106731454

IUPACN-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine
SMILESCCCS(=O)(=O)CCN(CCBr)C1CCC1
InChIInChI=1S/C11H22BrNO2S/c1-2-9-16(14,15)10-8-13(7-6-12)11-4-3-5-11/h11H,2-10H2,1H3
InChIKeySVNSHRTXKHQDSL-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.06
Rot. Bonds8

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

N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine (PubChem CID 106731454) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine
PubChem CID106731454
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine
SMILESCCCS(=O)(=O)CCN(CCBr)C1CCC1
InChIInChI=1S/C11H22BrNO2S/c1-2-9-16(14,15)10-8-13(7-6-12)11-4-3-5-11/h11H,2-10H2,1H3
InChIKeySVNSHRTXKHQDSL-UHFFFAOYSA-N
XLogP2.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine
CID 106731144
N-(2-bromoethyl)-N-pentylcyclobutanamine
CID 102860969
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
N'-cyclopentyl-N'-(2-ethylsulfonylethyl)ethane-1,2-diamine
CID 63761677
N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine
CID 102861077
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine
CID 102860067
N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873337
N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine
CID 102860754
N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine
CID 102860767
N-(3-bromopropyl)-N-heptylcyclobutanamine
CID 102860068
N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
CID 114526677

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine?
The IUPAC name of N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine (CID 106731454) is N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine is CCCS(=O)(=O)CCN(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine?
The InChIKey is SVNSHRTXKHQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-2-9-16(14,15)10-8-13(7-6-12)11-4-3-5-11/h11H,2-10H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine?
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine has a molecular weight of 312.27 g/mol, XLogP of 2.06, 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)cyclobutanamine is sourced from PubChem (CID 106731454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).