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

C10H13Cl2NS — CID 130608757

IUPAC3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine
SMILESClCC1CCN(Cc2csc(Cl)c2)C1
InChIInChI=1S/C10H13Cl2NS/c11-4-8-1-2-13(5-8)6-9-3-10(12)14-7-9/h3,7-8H,1-2,4-6H2
InChIKeySYVLYCGLGGMIJH-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.46
Rot. Bonds3

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

3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine (PubChem CID 130608757) has the molecular formula C10H13Cl2NS and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine
PubChem CID130608757
Molecular FormulaC10H13Cl2NS
Molecular Weight250.19 g/mol
Exact Mass249.01
IUPAC Name3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine
SMILESClCC1CCN(Cc2csc(Cl)c2)C1
InChIInChI=1S/C10H13Cl2NS/c11-4-8-1-2-13(5-8)6-9-3-10(12)14-7-9/h3,7-8H,1-2,4-6H2
InChIKeySYVLYCGLGGMIJH-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.46
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

3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 63388705
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
1-[(3-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388237
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388236
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
3-(2-chloroethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 114800668
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
1-[(2-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388702
3-[(5-bromothiophen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927432
1-[(3-bromo-5-fluorophenyl)methyl]-3-(chloromethyl)piperidine
CID 79708872

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine (CID 130608757) is 3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine is ClCC1CCN(Cc2csc(Cl)c2)C1.
What is the InChIKey of 3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine?
The InChIKey is SYVLYCGLGGMIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NS/c11-4-8-1-2-13(5-8)6-9-3-10(12)14-7-9/h3,7-8H,1-2,4-6H2.
What are the key properties of 3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine?
3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine has a molecular weight of 250.19 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 130608757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).