(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone

C17H24N2O5S — CID 95285624

IUPAC(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O5S/c1-13-5-6-18(12-13)17(20)14-3-4-15(23-2)16(11-14)25(21,22)19-7-9-24-10-8-19/h3-4,11,13H,5-10,12H2,1-2H3/t13-/m1/s1
InChIKeyLLDQFERCAMSIJQ-CYBMUJFWSA-N
MW368.46 g/mol
LogP1.20
Rot. Bonds4

About (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone

(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 95285624) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
PubChem CID95285624
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O5S/c1-13-5-6-18(12-13)17(20)14-3-4-15(23-2)16(11-14)25(21,22)19-7-9-24-10-8-19/h3-4,11,13H,5-10,12H2,1-2H3/t13-/m1/s1
InChIKeyLLDQFERCAMSIJQ-CYBMUJFWSA-N
XLogP1.20
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949051
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 9296611
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 36608437
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631968
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4854960
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 110631332
(3-bromo-4-methoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226218
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(3-ethylpiperidin-1-yl)methanone
CID 55654809
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 17474274
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 26003172
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone (CID 95285624) is (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CC[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is LLDQFERCAMSIJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-13-5-6-18(12-13)17(20)14-3-4-15(23-2)16(11-14)25(21,22)19-7-9-24-10-8-19/h3-4,11,13H,5-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone?
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95285624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).