1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide

C7H15BrN2O2S — CID 103270071

IUPAC1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
SMILESCN1CCCC1CNS(=O)(=O)CBr
InChIInChI=1S/C7H15BrN2O2S/c1-10-4-2-3-7(10)5-9-13(11,12)6-8/h7,9H,2-6H2,1H3
InChIKeyUZNJHAXTZYENEJ-UHFFFAOYSA-N
MW271.18 g/mol
LogP0.35
Rot. Bonds4

About 1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide

1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide (PubChem CID 103270071) has the molecular formula C7H15BrN2O2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
PubChem CID103270071
Molecular FormulaC7H15BrN2O2S
Molecular Weight271.18 g/mol
Exact Mass270.00
IUPAC Name1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
SMILESCN1CCCC1CNS(=O)(=O)CBr
InChIInChI=1S/C7H15BrN2O2S/c1-10-4-2-3-7(10)5-9-13(11,12)6-8/h7,9H,2-6H2,1H3
InChIKeyUZNJHAXTZYENEJ-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1-sulfonamide
CID 79585876
N-[(1-methylpyrrolidin-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106094851
1-[2-(aminomethyl)phenyl]-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 106024265
1-[3-(hydroxymethyl)phenyl]-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 106022671
2,4-dibromo-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 113227180
2-(2-aminophenyl)sulfanyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanesulfonamide
CID 106022293
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106094880
(1-methylpyrrolidin-2-yl)methanesulfonyl chloride
CID 127010204
N-[(1-methylpiperidin-2-yl)methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106051009
4-bromo-2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 103270066
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-sulfonamide
CID 106028482

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide (CID 103270071) is 1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide is CN1CCCC1CNS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide?
The InChIKey is UZNJHAXTZYENEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrN2O2S/c1-10-4-2-3-7(10)5-9-13(11,12)6-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide?
1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide has a molecular weight of 271.18 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 103270071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).