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

C10H14ClNS — CID 63387601

IUPAC2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
SMILESClCC1CCCN1Cc1ccsc1
InChIInChI=1S/C10H14ClNS/c11-6-10-2-1-4-12(10)7-9-3-5-13-8-9/h3,5,8,10H,1-2,4,6-7H2
InChIKeyQPJYHGZBDJRSMQ-UHFFFAOYSA-N
MW215.75 g/mol
LogP2.95
Rot. Bonds3

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

2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine (PubChem CID 63387601) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
PubChem CID63387601
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
SMILESClCC1CCCN1Cc1ccsc1
InChIInChI=1S/C10H14ClNS/c11-6-10-2-1-4-12(10)7-9-3-5-13-8-9/h3,5,8,10H,1-2,4,6-7H2
InChIKeyQPJYHGZBDJRSMQ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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

N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581623
2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 65489547
N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62579502
(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67253384
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 63394541
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63386661
1-[(4-bromophenyl)methyl]-2-(chloromethyl)piperidine
CID 63386874
1-[(3-bromophenyl)methyl]-2-(chloromethyl)pyrrolidine
CID 63388042
1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole
CID 84593793
1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol
CID 115882861
2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 55182780

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine (CID 63387601) is 2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine is ClCC1CCCN1Cc1ccsc1.
What is the InChIKey of 2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine?
The InChIKey is QPJYHGZBDJRSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c11-6-10-2-1-4-12(10)7-9-3-5-13-8-9/h3,5,8,10H,1-2,4,6-7H2.
What are the key properties of 2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine?
2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine has a molecular weight of 215.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine is sourced from PubChem (CID 63387601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).