1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine

C14H17NS — CID 71334353

IUPAC1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine
SMILESC1=C(c2ccccc2)SCC1N1CCCC1
InChIInChI=1S/C14H17NS/c1-2-6-12(7-3-1)14-10-13(11-16-14)15-8-4-5-9-15/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyMJADNLMCHVRVJO-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.24
Rot. Bonds2

About 1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine

1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine (PubChem CID 71334353) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine
PubChem CID71334353
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine
SMILESC1=C(c2ccccc2)SCC1N1CCCC1
InChIInChI=1S/C14H17NS/c1-2-6-12(7-3-1)14-10-13(11-16-14)15-8-4-5-9-15/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyMJADNLMCHVRVJO-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(-)-cis-3,4-Dimethyl-2-phenyltetrahydro-1,4-thiazine
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Thiazolidine, 2-(m-tolyl)-2,3-dimethyl-
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2-benzylsulfanyl-N,N-dimethylethanamine
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Xpyuluguwrsrcu-uhfffaoysa-
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1-[(2e)-3-Phenylprop-2-en-1-yl]pyrrolidine
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N-(benzylsulfanylmethyl)-N-methylcyclohexanamine
CID 10422188
n-Benzylthiazolidine
CID 12445260
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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine?
The IUPAC name of 1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine (CID 71334353) is 1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine.
What is the SMILES notation for 1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine?
The canonical SMILES for 1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine is C1=C(c2ccccc2)SCC1N1CCCC1.
What is the InChIKey of 1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine?
The InChIKey is MJADNLMCHVRVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-2-6-12(7-3-1)14-10-13(11-16-14)15-8-4-5-9-15/h1-3,6-7,10,13H,4-5,8-9,11H2.
What are the key properties of 1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine?
1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine has a molecular weight of 231.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-2,3-dihydrothiophen-3-yl)pyrrolidine is sourced from PubChem (CID 71334353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).