3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine

C10H14ClNS — CID 63388749

IUPAC3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
SMILESClCC1CCN(Cc2cccs2)C1
InChIInChI=1S/C10H14ClNS/c11-6-9-3-4-12(7-9)8-10-2-1-5-13-10/h1-2,5,9H,3-4,6-8H2
InChIKeyLULQVZJZJLSSLX-UHFFFAOYSA-N
MW215.75 g/mol
LogP2.81
Rot. Bonds3

About 3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine

3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine (PubChem CID 63388749) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
PubChem CID63388749
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
SMILESClCC1CCN(Cc2cccs2)C1
InChIInChI=1S/C10H14ClNS/c11-6-9-3-4-12(7-9)8-10-2-1-5-13-10/h1-2,5,9H,3-4,6-8H2
InChIKeyLULQVZJZJLSSLX-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 52.81
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-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine
CID 63388568
2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081480
3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine
CID 102959815
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133469202
5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine
CID 122151089
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
3-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]pyrrolidine
CID 130608757

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine (CID 63388749) is 3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine is ClCC1CCN(Cc2cccs2)C1.
What is the InChIKey of 3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine?
The InChIKey is LULQVZJZJLSSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c11-6-9-3-4-12(7-9)8-10-2-1-5-13-10/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine?
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine has a molecular weight of 215.75 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 63388749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).