2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine

C10H20ClNO2S — CID 63400986

IUPAC2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCCC1CCCCl
InChIInChI=1S/C10H20ClNO2S/c1-9(2)15(13,14)12-8-4-6-10(12)5-3-7-11/h9-10H,3-8H2,1-2H3
InChIKeyLSAVCPJRGJRODH-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.21
Rot. Bonds5

About 2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine

2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine (PubChem CID 63400986) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine
PubChem CID63400986
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCCC1CCCCl
InChIInChI=1S/C10H20ClNO2S/c1-9(2)15(13,14)12-8-4-6-10(12)5-3-7-11/h9-10H,3-8H2,1-2H3
InChIKeyLSAVCPJRGJRODH-UHFFFAOYSA-N
XLogP2.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.21
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-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine
CID 63400433
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonylpiperidine
CID 63400473
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine
CID 63400591
1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine
CID 63400724
2-(3-chloropropyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 63400723
4-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-1-ethyl-2-methylimidazole
CID 63400810
(4aR,8aR)-1-propan-2-ylsulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102728877
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 63397745
2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
CID 43654461
1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889427

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine (CID 63400986) is 2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine is CC(C)S(=O)(=O)N1CCCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is LSAVCPJRGJRODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-9(2)15(13,14)12-8-4-6-10(12)5-3-7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine?
2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 253.79 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 63400986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).