2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine

C12H17Cl2NS — CID 63388616

IUPAC2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine
SMILESClCCCC1CCCN1Cc1ccc(Cl)s1
InChIInChI=1S/C12H17Cl2NS/c13-7-1-3-10-4-2-8-15(10)9-11-5-6-12(14)16-11/h5-6,10H,1-4,7-9H2
InChIKeyWXUFGBXKPUBHAG-UHFFFAOYSA-N
MW278.25 g/mol
LogP4.38
Rot. Bonds5

About 2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine

2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine (PubChem CID 63388616) has the molecular formula C12H17Cl2NS and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine
PubChem CID63388616
Molecular FormulaC12H17Cl2NS
Molecular Weight278.25 g/mol
Exact Mass277.05
IUPAC Name2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine
SMILESClCCCC1CCCN1Cc1ccc(Cl)s1
InChIInChI=1S/C12H17Cl2NS/c13-7-1-3-10-4-2-8-15(10)9-11-5-6-12(14)16-11/h5-6,10H,1-4,7-9H2
InChIKeyWXUFGBXKPUBHAG-UHFFFAOYSA-N
XLogP4.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.38
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-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 63386952
N-[[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 55092364
2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine
CID 63386907
1-[(4-bromophenyl)methyl]-2-(3-chloropropyl)pyrrolidine
CID 63388244
1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine
CID 55506302
N-[(5-chlorothiophen-2-yl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62467093
methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
CID 55134425
2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine
CID 112651342
[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311784
2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine
CID 80671588
3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102878849
3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 63021532

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine (CID 63388616) is 2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine is ClCCCC1CCCN1Cc1ccc(Cl)s1.
What is the InChIKey of 2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine?
The InChIKey is WXUFGBXKPUBHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NS/c13-7-1-3-10-4-2-8-15(10)9-11-5-6-12(14)16-11/h5-6,10H,1-4,7-9H2.
What are the key properties of 2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine?
2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine has a molecular weight of 278.25 g/mol, XLogP of 4.38, 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-[(5-chlorothiophen-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 63388616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).