3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide

C10H21ClN2O2S — CID 43654453

IUPAC3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)CCCCl
InChIInChI=1S/C10H21ClN2O2S/c1-2-13-7-3-5-10(13)9-12-16(14,15)8-4-6-11/h10,12H,2-9H2,1H3
InChIKeyUIUONGKKYYABMG-UHFFFAOYSA-N
MW268.81 g/mol
LogP1.02
Rot. Bonds7

About 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide

3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide (PubChem CID 43654453) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
PubChem CID43654453
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC Name3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)CCCCl
InChIInChI=1S/C10H21ClN2O2S/c1-2-13-7-3-5-10(13)9-12-16(14,15)8-4-6-11/h10,12H,2-9H2,1H3
InChIKeyUIUONGKKYYABMG-UHFFFAOYSA-N
XLogP1.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 51.02
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

4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid
CID 43209551
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 116815189
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111783502
N-[(1-methylpyrrolidin-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106094851
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 43109838
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
3-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]propane-1-sulfonamide
CID 61241657
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961368
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 23151964

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide (CID 43654453) is 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide is CCN1CCCC1CNS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is UIUONGKKYYABMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O2S/c1-2-13-7-3-5-10(13)9-12-16(14,15)8-4-6-11/h10,12H,2-9H2,1H3.
What are the key properties of 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide?
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 268.81 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 43654453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).