4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one

C22H25ClN2O6S — CID 11496686

IUPAC4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C22H25ClN2O6S/c23-17-3-1-16-12-19(4-2-15(16)11-17)32(29,30)14-20(26)22(28)24-7-5-18(6-8-24)25-9-10-31-13-21(25)27/h1-4,11-12,18,20,26H,5-10,13-14H2/t20-/m1/s1
InChIKeyZNBLPBAPIPKQEP-HXUWFJFHSA-N
MW480.97 g/mol
LogP1.48
Rot. Bonds5

About 4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one

4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one (PubChem CID 11496686) has the molecular formula C22H25ClN2O6S and a molecular weight of 480.97 g/mol. Its IUPAC name is 4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one
PubChem CID11496686
Molecular FormulaC22H25ClN2O6S
Molecular Weight480.97 g/mol
Exact Mass480.11
IUPAC Name4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C22H25ClN2O6S/c23-17-3-1-16-12-19(4-2-15(16)11-17)32(29,30)14-20(26)22(28)24-7-5-18(6-8-24)25-9-10-31-13-21(25)27/h1-4,11-12,18,20,26H,5-10,13-14H2/t20-/m1/s1
InChIKeyZNBLPBAPIPKQEP-HXUWFJFHSA-N
XLogP1.48
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one (CID 11496686) is 4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one is O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCOCC2=O)CC1.
What is the InChIKey of 4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one?
The InChIKey is ZNBLPBAPIPKQEP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25ClN2O6S/c23-17-3-1-16-12-19(4-2-15(16)11-17)32(29,30)14-20(26)22(28)24-7-5-18(6-8-24)25-9-10-31-13-21(25)27/h1-4,11-12,18,20,26H,5-10,13-14H2/t20-/m1/s1.
What are the key properties of 4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one?
4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one has a molecular weight of 480.97 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]morpholin-3-one is sourced from PubChem (CID 11496686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).