(2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone

C16H22N2O4S — CID 6459647

IUPAC(2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCC1
InChIInChI=1S/C16H22N2O4S/c1-13-4-5-14(23(20,21)18-8-10-22-11-9-18)12-15(13)16(19)17-6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3
InChIKeyNQRYQNFSVQNQMO-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.25
Rot. Bonds3

About (2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone

(2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 6459647) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is (2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID6459647
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name(2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCC1
InChIInChI=1S/C16H22N2O4S/c1-13-4-5-14(23(20,21)18-8-10-22-11-9-18)12-15(13)16(19)17-6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3
InChIKeyNQRYQNFSVQNQMO-UHFFFAOYSA-N
XLogP1.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

INO-1001 free base
CID 9889396
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
2,5-dimethyl-N-[4-(4-morpholinylcarbonyl)benzyl]benzenesulfonamide
CID 984387
[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-morpholin-4-yl-methanone
CID 2889869
2,3-Dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 3587175
1-[3-(2,6-Dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 4100781
(2,6-Dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 4230482
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4846716
N,N-dimethyl-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 16278252
[4-Methyl-3-(pyrrolidin-1-ylsulfonyl)phenyl](piperidin-1-yl)methanone
CID 19059861
3-(1-azepanylsulfonyl)-N-[2-(4-morpholinyl)ethyl]benzamide
CID 1292590

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone (CID 6459647) is (2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCC1.
What is the InChIKey of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is NQRYQNFSVQNQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-13-4-5-14(23(20,21)18-8-10-22-11-9-18)12-15(13)16(19)17-6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone?
(2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 338.43 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-morpholin-4-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 6459647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).