1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine

C11H21ClN2O2S — CID 63174919

IUPAC1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine
SMILESO=S(=O)(CCCCl)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H21ClN2O2S/c12-5-3-9-17(15,16)14-8-4-11(10-14)13-6-1-2-7-13/h11H,1-10H2
InChIKeyGGADLKXMINTBJG-UHFFFAOYSA-N
MW280.82 g/mol
LogP1.12
Rot. Bonds5

About 1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine

1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 63174919) has the molecular formula C11H21ClN2O2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine
PubChem CID63174919
Molecular FormulaC11H21ClN2O2S
Molecular Weight280.82 g/mol
Exact Mass280.10
IUPAC Name1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine
SMILESO=S(=O)(CCCCl)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H21ClN2O2S/c12-5-3-9-17(15,16)14-8-4-11(10-14)13-6-1-2-7-13/h11H,1-10H2
InChIKeyGGADLKXMINTBJG-UHFFFAOYSA-N
XLogP1.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorobutylsulfonyl)-3-pyrrolidin-1-ylpiperidine
CID 116815438
1-(3-chloro-2-methylpropyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 79586240
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propan-1-amine
CID 79938331
1-[(3S)-1-propylsulfonylpiperidin-3-yl]azepane
CID 95342967
N-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine
CID 79936656
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonyl chloride
CID 115649520
3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 63539561
methyl 1-(3-chloropropylsulfonyl)piperidine-3-carboxylate
CID 115536328
1-(3-chloropropylsulfonyl)-3-(methoxymethyl)piperidine
CID 106588259
1-(4-chlorobutylsulfonyl)-4-methylpiperidine
CID 28704646
(3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine
CID 100897842
4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide
CID 61248403

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine (CID 63174919) is 1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine is O=S(=O)(CCCCl)N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is GGADLKXMINTBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O2S/c12-5-3-9-17(15,16)14-8-4-11(10-14)13-6-1-2-7-13/h11H,1-10H2.
What are the key properties of 1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine?
1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 280.82 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 63174919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).