(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone

C16H17NOS — CID 110874320

IUPAC(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C16H17NOS/c18-16(15-7-4-10-19-15)17-9-8-14(12-17)11-13-5-2-1-3-6-13/h1-7,10,14H,8-9,11-12H2
InChIKeyMDYRTLWVFVAQQC-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.45
Rot. Bonds3

About (3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone

(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 110874320) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is (3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
PubChem CID110874320
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C16H17NOS/c18-16(15-7-4-10-19-15)17-9-8-14(12-17)11-13-5-2-1-3-6-13/h1-7,10,14H,8-9,11-12H2
InChIKeyMDYRTLWVFVAQQC-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95873674
[3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801038
5-[(3R)-3-benzylpyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124701503
[3-(2-bromoethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801408
(4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42693568
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8543374
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738

Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone (CID 110874320) is (3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(Cc2ccccc2)C1.
What is the InChIKey of (3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is MDYRTLWVFVAQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c18-16(15-7-4-10-19-15)17-9-8-14(12-17)11-13-5-2-1-3-6-13/h1-7,10,14H,8-9,11-12H2.
What are the key properties of (3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 271.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 110874320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).