1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine

C13H24ClNO2S — CID 79585341

IUPAC1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine
SMILESCC(CCl)CS(=O)(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C13H24ClNO2S/c1-11(9-14)10-18(16,17)15-8-4-7-13(15)12-5-2-3-6-12/h11-13H,2-10H2,1H3
InChIKeyLJAVAFAMTCBILD-UHFFFAOYSA-N
MW293.86 g/mol
LogP2.85
Rot. Bonds5

About 1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine

1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine (PubChem CID 79585341) has the molecular formula C13H24ClNO2S and a molecular weight of 293.86 g/mol. Its IUPAC name is 1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine.

Molecular Properties

Compound Name1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine
PubChem CID79585341
Molecular FormulaC13H24ClNO2S
Molecular Weight293.86 g/mol
Exact Mass293.12
IUPAC Name1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine
SMILESCC(CCl)CS(=O)(=O)N1CCCC1C1CCCC1
InChIInChI=1S/C13H24ClNO2S/c1-11(9-14)10-18(16,17)15-8-4-7-13(15)12-5-2-3-6-12/h11-13H,2-10H2,1H3
InChIKeyLJAVAFAMTCBILD-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 52.85
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

1-(3-chloro-2-methylpropyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749613
1-(3-chloro-2-methylpropyl)sulfonyl-2-ethylpiperidine
CID 79585022
2-cyclobutyl-1-ethylsulfonylpyrrolidine
CID 110871924
1-(3-chloropropylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 43654484
1-propylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60580514
(4aR,8aR)-1-propan-2-ylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102728877
2-cyclohexyl-1-propylsulfonylpyrrolidine
CID 61384313
ethyl 1-(3-chloro-2-methylpropyl)sulfonylpyrrolidine-2-carboxylate
CID 79586314
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-propan-2-ylbutan-1-amine
CID 102729039
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-N-methylethanamine
CID 54974113
4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
CID 60979368
1-(3-chloro-2-methylpropyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 79586240

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine?
The IUPAC name of 1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine (CID 79585341) is 1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine.
What is the SMILES notation for 1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine?
The canonical SMILES for 1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine is CC(CCl)CS(=O)(=O)N1CCCC1C1CCCC1.
What is the InChIKey of 1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine?
The InChIKey is LJAVAFAMTCBILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2S/c1-11(9-14)10-18(16,17)15-8-4-7-13(15)12-5-2-3-6-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine?
1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine has a molecular weight of 293.86 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine is sourced from PubChem (CID 79585341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).