2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine

C12H18ClNS — CID 102784680

IUPAC2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
SMILESCC1CCN(CCc2ccsc2)C1CCl
InChIInChI=1S/C12H18ClNS/c1-10-2-5-14(12(10)8-13)6-3-11-4-7-15-9-11/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyKVSLUXDSZSSMKH-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.24
Rot. Bonds4

About 2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine

2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine (PubChem CID 102784680) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
PubChem CID102784680
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
SMILESCC1CCN(CCc2ccsc2)C1CCl
InChIInChI=1S/C12H18ClNS/c1-10-2-5-14(12(10)8-13)6-3-11-4-7-15-9-11/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyKVSLUXDSZSSMKH-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.24
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-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
CID 127001246
N,2,3-trimethyl-1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 79398307
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 102787075
2-(chloromethyl)-3-methyl-1-(2-phenylsulfanylethyl)pyrrolidine
CID 102784929
1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474548
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62560301
4-chloro-1-(2-thiophen-3-ylethyl)azepane
CID 130637760
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 102738389
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62576069
N-ethyl-1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474587
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102784644
2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 63387601

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine?
The IUPAC name of 2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine (CID 102784680) is 2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine is CC1CCN(CCc2ccsc2)C1CCl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine?
The InChIKey is KVSLUXDSZSSMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-10-2-5-14(12(10)8-13)6-3-11-4-7-15-9-11/h4,7,9-10,12H,2-3,5-6,8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine?
2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine has a molecular weight of 243.80 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine is sourced from PubChem (CID 102784680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).