[(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone

C15H20N2O4S2 — CID 97129320

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCSCC2)cc1)N1CC[C@H](O)C1
InChIInChI=1S/C15H20N2O4S2/c18-13-5-6-16(11-13)15(19)12-1-3-14(4-2-12)23(20,21)17-7-9-22-10-8-17/h1-4,13,18H,5-11H2/t13-/m0/s1
InChIKeyDVSHHUUVLYPLPE-ZDUSSCGKSA-N
MW356.47 g/mol
LogP0.63
Rot. Bonds3

About [(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone (PubChem CID 97129320) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone
PubChem CID97129320
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCSCC2)cc1)N1CC[C@H](O)C1
InChIInChI=1S/C15H20N2O4S2/c18-13-5-6-16(11-13)15(19)12-1-3-14(4-2-12)23(20,21)17-7-9-22-10-8-17/h1-4,13,18H,5-11H2/t13-/m0/s1
InChIKeyDVSHHUUVLYPLPE-ZDUSSCGKSA-N
XLogP0.63
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]-thiomorpholin-4-ylmethanone
CID 70766156
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
(3-piperazin-1-ylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 120995898
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261496
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone (CID 97129320) is [(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCSCC2)cc1)N1CC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is DVSHHUUVLYPLPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c18-13-5-6-16(11-13)15(19)12-1-3-14(4-2-12)23(20,21)17-7-9-22-10-8-17/h1-4,13,18H,5-11H2/t13-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 356.47 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-(4-thiomorpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 97129320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).