2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone

C15H22N2O3S2 — CID 97340121

IUPAC2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone
SMILESO=C(C[C@@H]1CCCN1S(=O)(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C15H22N2O3S2/c18-14(15-7-5-11-21-15)12-13-6-4-10-17(13)22(19,20)16-8-2-1-3-9-16/h5,7,11,13H,1-4,6,8-10,12H2/t13-/m0/s1
InChIKeyLRAMGXKNQWUMQO-ZDUSSCGKSA-N
MW342.49 g/mol
LogP2.52
Rot. Bonds5

About 2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone

2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone (PubChem CID 97340121) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone
PubChem CID97340121
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Name2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone
SMILESO=C(C[C@@H]1CCCN1S(=O)(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C15H22N2O3S2/c18-14(15-7-5-11-21-15)12-13-6-4-10-17(13)22(19,20)16-8-2-1-3-9-16/h5,7,11,13H,1-4,6,8-10,12H2/t13-/m0/s1
InChIKeyLRAMGXKNQWUMQO-ZDUSSCGKSA-N
XLogP2.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
CID 75448273
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546293
2-[(2R)-1-benzylazepan-2-yl]-1-thiophen-2-ylethanone
CID 99978766
tert-butyl 2-(2-oxo-2-thiophen-2-ylethyl)azepane-1-carboxylate
CID 102567607
2-[(2S)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 95974386
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 167946409
5-chloro-2-methoxy-N-methyl-3-[2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 155969247
2-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 75517761
4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine
CID 70727742
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
N-cyclohexyl-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 26562522

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone (CID 97340121) is 2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone is O=C(C[C@@H]1CCCN1S(=O)(=O)N1CCCCC1)c1cccs1.
What is the InChIKey of 2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone?
The InChIKey is LRAMGXKNQWUMQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c18-14(15-7-5-11-21-15)12-13-6-4-10-17(13)22(19,20)16-8-2-1-3-9-16/h5,7,11,13H,1-4,6,8-10,12H2/t13-/m0/s1.
What are the key properties of 2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone?
2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone has a molecular weight of 342.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 97340121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).