1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine

C15H16ClNS — CID 55506302

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine
SMILESClc1ccc(CN2CCCC2c2ccccc2)s1
InChIInChI=1S/C15H16ClNS/c16-15-9-8-13(18-15)11-17-10-4-7-14(17)12-5-2-1-3-6-12/h1-3,5-6,8-9,14H,4,7,10-11H2
InChIKeyCTHODIPRZCBZPX-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.74
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine

1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine (PubChem CID 55506302) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine
PubChem CID55506302
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine
SMILESClc1ccc(CN2CCCC2c2ccccc2)s1
InChIInChI=1S/C15H16ClNS/c16-15-9-8-13(18-15)11-17-10-4-7-14(17)12-5-2-1-3-6-12/h1-3,5-6,8-9,14H,4,7,10-11H2
InChIKeyCTHODIPRZCBZPX-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 63386952
2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine
CID 63388616
2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine
CID 135110379
1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895866
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
CID 55134425
N-[[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 55092364
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
4-(1-benzylpyrrolidin-2-yl)benzonitrile
CID 164673724

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine (CID 55506302) is 1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine is Clc1ccc(CN2CCCC2c2ccccc2)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine?
The InChIKey is CTHODIPRZCBZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c16-15-9-8-13(18-15)11-17-10-4-7-14(17)12-5-2-1-3-6-12/h1-3,5-6,8-9,14H,4,7,10-11H2.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine?
1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine has a molecular weight of 277.82 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine is sourced from PubChem (CID 55506302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).