N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide

C10H18BrNO2S — CID 114758715

IUPACN-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCC1(CCBr)CC1
InChIInChI=1S/C10H18BrNO2S/c11-6-5-10(3-4-10)8-12-15(13,14)7-9-1-2-9/h9,12H,1-8H2
InChIKeyMPAADNHXKRRGLW-UHFFFAOYSA-N
MW296.23 g/mol
LogP1.88
Rot. Bonds7

About N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide (PubChem CID 114758715) has the molecular formula C10H18BrNO2S and a molecular weight of 296.23 g/mol. Its IUPAC name is N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide
PubChem CID114758715
Molecular FormulaC10H18BrNO2S
Molecular Weight296.23 g/mol
Exact Mass295.02
IUPAC NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCC1(CCBr)CC1
InChIInChI=1S/C10H18BrNO2S/c11-6-5-10(3-4-10)8-12-15(13,14)7-9-1-2-9/h9,12H,1-8H2
InChIKeyMPAADNHXKRRGLW-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 51.88
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-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide
CID 114758693
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
CID 107848846
N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide
CID 115456556
4-[(cyclopropylmethylsulfonylamino)methyl]oxane-4-carboxylic acid
CID 115438630
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
CID 119958818
N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
CID 114297143
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
CID 114749822
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2,4,6-trifluorobenzenesulfonamide
CID 114758686
N-[[1-(2-bromoethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 114758299
1-cyclopropyl-N-(2-ethylbutyl)methanesulfonamide
CID 115673529
1-cyclopropyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120720655
N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-4-ylmethanesulfonamide
CID 114116782

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide (CID 114758715) is N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NCC1(CCBr)CC1.
What is the InChIKey of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is MPAADNHXKRRGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2S/c11-6-5-10(3-4-10)8-12-15(13,14)7-9-1-2-9/h9,12H,1-8H2.
What are the key properties of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide?
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 296.23 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 114758715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).