N-(2-bromopropyl)-N-methylcyclopropanesulfonamide

C7H14BrNO2S — CID 80667653

IUPACN-(2-bromopropyl)-N-methylcyclopropanesulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)C1CC1
InChIInChI=1S/C7H14BrNO2S/c1-6(8)5-9(2)12(10,11)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyRMMARBJEYNKWNV-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.19
Rot. Bonds4

About N-(2-bromopropyl)-N-methylcyclopropanesulfonamide

N-(2-bromopropyl)-N-methylcyclopropanesulfonamide (PubChem CID 80667653) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methylcyclopropanesulfonamide
PubChem CID80667653
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC NameN-(2-bromopropyl)-N-methylcyclopropanesulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)C1CC1
InChIInChI=1S/C7H14BrNO2S/c1-6(8)5-9(2)12(10,11)7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyRMMARBJEYNKWNV-UHFFFAOYSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromopropyl)-N-methylcyclopropanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N-methylcyclopropanesulfonamide?
The IUPAC name of N-(2-bromopropyl)-N-methylcyclopropanesulfonamide (CID 80667653) is N-(2-bromopropyl)-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-(2-bromopropyl)-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-(2-bromopropyl)-N-methylcyclopropanesulfonamide is CC(Br)CN(C)S(=O)(=O)C1CC1.
What is the InChIKey of N-(2-bromopropyl)-N-methylcyclopropanesulfonamide?
The InChIKey is RMMARBJEYNKWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/c1-6(8)5-9(2)12(10,11)7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-N-methylcyclopropanesulfonamide?
N-(2-bromopropyl)-N-methylcyclopropanesulfonamide has a molecular weight of 256.16 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 80667653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).