2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol

C14H21NOS — CID 114339333

IUPAC2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1Cc1cccs1
InChIInChI=1S/C14H21NOS/c16-14-7-1-5-12(14)13-6-2-8-15(13)10-11-4-3-9-17-11/h3-4,9,12-14,16H,1-2,5-8,10H2
InChIKeyKAASBSRRAUQGJG-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.87
Rot. Bonds3

About 2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 114339333) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID114339333
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1Cc1cccs1
InChIInChI=1S/C14H21NOS/c16-14-7-1-5-12(14)13-6-2-8-15(13)10-11-4-3-9-17-11/h3-4,9,12-14,16H,1-2,5-8,10H2
InChIKeyKAASBSRRAUQGJG-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dioxolan-2-yl)-1-(thiophen-2-ylmethyl)piperidine
CID 84593778
2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339030
2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339840
2-[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339176
1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546734
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
(4aR,7aR)-6-methylsulfonyl-1-(thiophen-2-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97377270
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543711
(2R)-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)azepane
CID 92878241
2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339286

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol (CID 114339333) is 2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol is OC1CCCC1C1CCCN1Cc1cccs1.
What is the InChIKey of 2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is KAASBSRRAUQGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c16-14-7-1-5-12(14)13-6-2-8-15(13)10-11-4-3-9-17-11/h3-4,9,12-14,16H,1-2,5-8,10H2.
What are the key properties of 2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114339333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).