2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine

C10H14ClNS — CID 66466900

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine
SMILESCC1(Cc2ccc(Cl)s2)CCCN1
InChIInChI=1S/C10H14ClNS/c1-10(5-2-6-12-10)7-8-3-4-9(11)13-8/h3-4,12H,2,5-7H2,1H3
InChIKeyOUDOGWDWCOWIJU-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.09
Rot. Bonds2

About 2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine

2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine (PubChem CID 66466900) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine
PubChem CID66466900
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine
SMILESCC1(Cc2ccc(Cl)s2)CCCN1
InChIInChI=1S/C10H14ClNS/c1-10(5-2-6-12-10)7-8-3-4-9(11)13-8/h3-4,12H,2,5-7H2,1H3
InChIKeyOUDOGWDWCOWIJU-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine (CID 66466900) is 2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine is CC1(Cc2ccc(Cl)s2)CCCN1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine?
The InChIKey is OUDOGWDWCOWIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-10(5-2-6-12-10)7-8-3-4-9(11)13-8/h3-4,12H,2,5-7H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine?
2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine has a molecular weight of 215.75 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 66466900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).