2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide

C9H19ClN2O2S — CID 63397745

IUPAC2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCCC1CCl
InChIInChI=1S/C9H19ClN2O2S/c1-8(2)11(3)15(13,14)12-6-4-5-9(12)7-10/h8-9H,4-7H2,1-3H3
InChIKeyFMXOWPJVSOERGE-UHFFFAOYSA-N
MW254.78 g/mol
LogP1.27
Rot. Bonds4

About 2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide

2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 63397745) has the molecular formula C9H19ClN2O2S and a molecular weight of 254.78 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID63397745
Molecular FormulaC9H19ClN2O2S
Molecular Weight254.78 g/mol
Exact Mass254.09
IUPAC Name2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCCC1CCl
InChIInChI=1S/C9H19ClN2O2S/c1-8(2)11(3)15(13,14)12-6-4-5-9(12)7-10/h8-9H,4-7H2,1-3H3
InChIKeyFMXOWPJVSOERGE-UHFFFAOYSA-N
XLogP1.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-cyclopropylsulfonylpiperidine
CID 64552452
2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 112667005
2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine
CID 63400986
2-(3-hydroxypropyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 62468298
2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine
CID 55185745
N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 61408756
2-(chloromethyl)-1-(2-methoxyethylsulfonyl)piperidine
CID 63396955
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694
1-(chloromethylsulfonyl)-2-ethylpyrrolidine
CID 63666632
4-(2-chloroethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 82701865
2-(chloromethyl)-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 81212094
2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119969104

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 63397745) is 2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is FMXOWPJVSOERGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O2S/c1-8(2)11(3)15(13,14)12-6-4-5-9(12)7-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 254.78 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 63397745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).