[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C20H23NO3S2 — CID 97354893

IUPAC[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H23NO3S2/c22-19(20(11-4-5-12-20)18-9-6-14-25-18)21-13-10-17(15-21)26(23,24)16-7-2-1-3-8-16/h1-3,6-9,14,17H,4-5,10-13,15H2/t17-/m1/s1
InChIKeyGTWHLKVDPDRGRF-QGZVFWFLSA-N
MW389.54 g/mol
LogP3.63
Rot. Bonds4

About [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 97354893) has the molecular formula C20H23NO3S2 and a molecular weight of 389.54 g/mol. Its IUPAC name is [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID97354893
Molecular FormulaC20H23NO3S2
Molecular Weight389.54 g/mol
Exact Mass389.11
IUPAC Name[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H23NO3S2/c22-19(20(11-4-5-12-20)18-9-6-14-25-18)21-13-10-17(15-21)26(23,24)16-7-2-1-3-8-16/h1-3,6-9,14,17H,4-5,10-13,15H2/t17-/m1/s1
InChIKeyGTWHLKVDPDRGRF-QGZVFWFLSA-N
XLogP3.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 100719123
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
[3-(benzenesulfonyl)pyrrolidin-1-yl]-spiro[3.5]nonan-7-ylmethanone
CID 154870125
(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 29401178
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone
CID 51894500

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 97354893) is [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)C1(c2cccs2)CCCC1.
What is the InChIKey of [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is GTWHLKVDPDRGRF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO3S2/c22-19(20(11-4-5-12-20)18-9-6-14-25-18)21-13-10-17(15-21)26(23,24)16-7-2-1-3-8-16/h1-3,6-9,14,17H,4-5,10-13,15H2/t17-/m1/s1.
What are the key properties of [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 389.54 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 97354893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).