N-(2-bromo-2-cyclopropylethyl)methanesulfonamide

C6H12BrNO2S — CID 114294506

IUPACN-(2-bromo-2-cyclopropylethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(Br)C1CC1
InChIInChI=1S/C6H12BrNO2S/c1-11(9,10)8-4-6(7)5-2-3-5/h5-6,8H,2-4H2,1H3
InChIKeyAKSUWPCTNOJVJS-UHFFFAOYSA-N
MW242.14 g/mol
LogP0.71
Rot. Bonds4

About N-(2-bromo-2-cyclopropylethyl)methanesulfonamide

N-(2-bromo-2-cyclopropylethyl)methanesulfonamide (PubChem CID 114294506) has the molecular formula C6H12BrNO2S and a molecular weight of 242.14 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)methanesulfonamide
PubChem CID114294506
Molecular FormulaC6H12BrNO2S
Molecular Weight242.14 g/mol
Exact Mass240.98
IUPAC NameN-(2-bromo-2-cyclopropylethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC(Br)C1CC1
InChIInChI=1S/C6H12BrNO2S/c1-11(9,10)8-4-6(7)5-2-3-5/h5-6,8H,2-4H2,1H3
InChIKeyAKSUWPCTNOJVJS-UHFFFAOYSA-N
XLogP0.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromo-2-cyclopropylethyl)methanesulfonamide 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-bromo-2-cyclopropylethyl)oxane-4-sulfonamide
CID 114294616
N-(2-bromopropyl)methanesulfonamide
CID 114295652
N-(2-bromo-2-cyclopropylethyl)-2-methylsulfonylpropanamide
CID 104522432
N-(2-bromo-2-cyclopropylethyl)-1-methylimidazole-4-sulfonamide
CID 114294580
N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide
CID 114294509
N-(2-bromo-2-cyclopropylethyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113271162
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide
CID 114294646
N-(2-bromo-2-cyclopropylethyl)-1-ethylimidazole-4-sulfonamide
CID 114294574
N-(2-bromo-3-methoxypropyl)methanesulfonamide
CID 114296203
N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400692
N-(2-bromo-2-cyclopropylethyl)-2-ethylbutanamide
CID 114315794
N-(2-bromo-2-cyclopropylethyl)-3,3-dimethylbutanamide
CID 114315961

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)methanesulfonamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)methanesulfonamide (CID 114294506) is N-(2-bromo-2-cyclopropylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)methanesulfonamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)methanesulfonamide is CS(=O)(=O)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)methanesulfonamide?
The InChIKey is AKSUWPCTNOJVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO2S/c1-11(9,10)8-4-6(7)5-2-3-5/h5-6,8H,2-4H2,1H3.
What are the key properties of N-(2-bromo-2-cyclopropylethyl)methanesulfonamide?
N-(2-bromo-2-cyclopropylethyl)methanesulfonamide has a molecular weight of 242.14 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)methanesulfonamide is sourced from PubChem (CID 114294506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).