N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide

C8H16BrNO2S — CID 115456556

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(CBr)CC1
InChIInChI=1S/C8H16BrNO2S/c1-2-5-13(11,12)10-7-8(6-9)3-4-8/h10H,2-7H2,1H3
InChIKeyGLCUMNOBABZXGC-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.49
Rot. Bonds6

About N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide

N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide (PubChem CID 115456556) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide
PubChem CID115456556
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(CBr)CC1
InChIInChI=1S/C8H16BrNO2S/c1-2-5-13(11,12)10-7-8(6-9)3-4-8/h10H,2-7H2,1H3
InChIKeyGLCUMNOBABZXGC-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950
N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide
CID 115456558
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-methylbutane-1-sulfonamide
CID 113359999
N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 115267418
4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide
CID 105055894
N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 107270941
2-(2-aminoethoxy)-N-[(1-propylcyclopropyl)methyl]ethanesulfonamide
CID 112751637
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
CID 114749822
N-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 115456564
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide
CID 114758715
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115456592
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide (CID 115456556) is N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1(CBr)CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide?
The InChIKey is GLCUMNOBABZXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-2-5-13(11,12)10-7-8(6-9)3-4-8/h10H,2-7H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide?
N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide has a molecular weight of 270.19 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 115456556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).