4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine

C10H13Cl2NS — CID 131010444

IUPAC4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine
SMILESCC1CC(Cl)CN1Cc1csc(Cl)c1
InChIInChI=1S/C10H13Cl2NS/c1-7-2-9(11)5-13(7)4-8-3-10(12)14-6-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyFLGNSNSZHLHJQB-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.60
Rot. Bonds2

About 4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine

4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine (PubChem CID 131010444) has the molecular formula C10H13Cl2NS and a molecular weight of 250.19 g/mol. Its IUPAC name is 4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine
PubChem CID131010444
Molecular FormulaC10H13Cl2NS
Molecular Weight250.19 g/mol
Exact Mass249.01
IUPAC Name4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine
SMILESCC1CC(Cl)CN1Cc1csc(Cl)c1
InChIInChI=1S/C10H13Cl2NS/c1-7-2-9(11)5-13(7)4-8-3-10(12)14-6-8/h3,6-7,9H,2,4-5H2,1H3
InChIKeyFLGNSNSZHLHJQB-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine?
The IUPAC name of 4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine (CID 131010444) is 4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine is CC1CC(Cl)CN1Cc1csc(Cl)c1.
What is the InChIKey of 4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine?
The InChIKey is FLGNSNSZHLHJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NS/c1-7-2-9(11)5-13(7)4-8-3-10(12)14-6-8/h3,6-7,9H,2,4-5H2,1H3.
What are the key properties of 4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine?
4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine has a molecular weight of 250.19 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(5-chlorothiophen-3-yl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 131010444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).