(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

C19H22N2O4S2 — CID 8916314

IUPAC(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C19H22N2O4S2/c22-19(21-8-2-6-17(21)18-7-3-13-26-18)15-4-1-5-16(14-15)27(23,24)20-9-11-25-12-10-20/h1,3-5,7,13-14,17H,2,6,8-12H2/t17-/m0/s1
InChIKeyKXKHDGKSCOTAAW-KRWDZBQOSA-N
MW406.53 g/mol
LogP2.75
Rot. Bonds4

About (3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (PubChem CID 8916314) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
PubChem CID8916314
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C19H22N2O4S2/c22-19(21-8-2-6-17(21)18-7-3-13-26-18)15-4-1-5-16(14-15)27(23,24)20-9-11-25-12-10-20/h1,3-5,7,13-14,17H,2,6,8-12H2/t17-/m0/s1
InChIKeyKXKHDGKSCOTAAW-KRWDZBQOSA-N
XLogP2.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 26003172
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 17474274
(2-cyclohexylpyrrolidin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 60534827
(3-morpholin-4-ylsulfonylphenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41079148
N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 42907938
N-prop-2-enyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43004682
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 98294989
(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 26189014
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 40987261

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (CID 8916314) is (3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1cccs1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is KXKHDGKSCOTAAW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c22-19(21-8-2-6-17(21)18-7-3-13-26-18)15-4-1-5-16(14-15)27(23,24)20-9-11-25-12-10-20/h1,3-5,7,13-14,17H,2,6,8-12H2/t17-/m0/s1.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 406.53 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 8916314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).