1-(4-phenylthiophen-2-yl)pyrrolidine

C14H15NS — CID 10775775

IUPAC1-(4-phenylthiophen-2-yl)pyrrolidine
SMILESc1ccc(-c2csc(N3CCCC3)c2)cc1
InChIInChI=1S/C14H15NS/c1-2-6-12(7-3-1)13-10-14(16-11-13)15-8-4-5-9-15/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyUBJFDZKZALWJOR-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.02
Rot. Bonds2

About 1-(4-phenylthiophen-2-yl)pyrrolidine

1-(4-phenylthiophen-2-yl)pyrrolidine (PubChem CID 10775775) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(4-phenylthiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-phenylthiophen-2-yl)pyrrolidine
PubChem CID10775775
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name1-(4-phenylthiophen-2-yl)pyrrolidine
SMILESc1ccc(-c2csc(N3CCCC3)c2)cc1
InChIInChI=1S/C14H15NS/c1-2-6-12(7-3-1)13-10-14(16-11-13)15-8-4-5-9-15/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyUBJFDZKZALWJOR-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline
CID 10039780
2-(Dimethylamino)-4-phenylthiophene-3-carbonitrile
CID 2819877
2-Thiophenamine, N-benzyl-N-(2-bromoethyl)-, hydrobromide
CID 5744393
3-(4-Methylphenyl)-2-(thiophen-2-yl)-1,3-thiazolidine
CID 4235597
4-(4-Phenyl-thiophen-2-yl)-morpholine
CID 10800406
2-Dimethylamino-3-phenylthio-phene
CID 11171706
1-(1-Benzothiophen-2-yl)aziridine
CID 14339463
1-(4,5,6,7-Tetrahydro-1-benzothiophen-3-ylmethyl)-2,3-dihydroindole
CID 6624867
Diethyl-(4-phenyl-thiophen-2-yl)-amine
CID 10609575
1-(4-Phenylthiophen-2-yl)piperidine
CID 10705408
N,N-diethyl-4-thiophen-3-ylaniline
CID 101198022
1-(1-Benzothiophen-2-yl)piperidine
CID 281091

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylthiophen-2-yl)pyrrolidine?
The IUPAC name of 1-(4-phenylthiophen-2-yl)pyrrolidine (CID 10775775) is 1-(4-phenylthiophen-2-yl)pyrrolidine.
What is the SMILES notation for 1-(4-phenylthiophen-2-yl)pyrrolidine?
The canonical SMILES for 1-(4-phenylthiophen-2-yl)pyrrolidine is c1ccc(-c2csc(N3CCCC3)c2)cc1.
What is the InChIKey of 1-(4-phenylthiophen-2-yl)pyrrolidine?
The InChIKey is UBJFDZKZALWJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-6-12(7-3-1)13-10-14(16-11-13)15-8-4-5-9-15/h1-3,6-7,10-11H,4-5,8-9H2.
What are the key properties of 1-(4-phenylthiophen-2-yl)pyrrolidine?
1-(4-phenylthiophen-2-yl)pyrrolidine has a molecular weight of 229.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylthiophen-2-yl)pyrrolidine is sourced from PubChem (CID 10775775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).