2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine

C15H22ClNS — CID 79224416

IUPAC2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine
SMILESClCCCC1CCCN1CCSc1ccccc1
InChIInChI=1S/C15H22ClNS/c16-10-4-6-14-7-5-11-17(14)12-13-18-15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2
InChIKeyZWOOZABHBBPRCE-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.26
Rot. Bonds7

About 2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine

2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine (PubChem CID 79224416) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine
PubChem CID79224416
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine
SMILESClCCCC1CCCN1CCSc1ccccc1
InChIInChI=1S/C15H22ClNS/c16-10-4-6-14-7-5-11-17(14)12-13-18-15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2
InChIKeyZWOOZABHBBPRCE-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.26
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

N-[[1-(2-phenylsulfanylethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 79222597
[(2S)-1-(2-phenylsulfanylethyl)pyrrolidin-2-yl]methanesulfonamide
CID 95629781
2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine
CID 79315744
1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde
CID 62654968
2-(chloromethyl)-3-methyl-1-(2-phenylsulfanylethyl)pyrrolidine
CID 102784929
2-(3-chloropropyl)-1-decylpyrrolidine
CID 63388574
1-(2-chloroethyl)-4-(2-phenylsulfanylethyl)-1,4-diazepane
CID 79223203
1-[(4-bromophenyl)methyl]-2-(3-chloropropyl)pyrrolidine
CID 63388244
2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
CID 63387052
2-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413024
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
5-[2-(3-chloropropyl)pyrrolidin-1-yl]-1-phenyltetrazole
CID 63390156

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine (CID 79224416) is 2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine is ClCCCC1CCCN1CCSc1ccccc1.
What is the InChIKey of 2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine?
The InChIKey is ZWOOZABHBBPRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c16-10-4-6-14-7-5-11-17(14)12-13-18-15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2.
What are the key properties of 2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine?
2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine has a molecular weight of 283.87 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 79224416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).