methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine

C50H63ClN10O12S4 — CID 158346804

About methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine

methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine (PubChem CID 158346804) has the molecular formula C50H63ClN10O12S4 and a molecular weight of 1159.83 g/mol. Its IUPAC name is methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine.

Molecular Properties

• Compound Name: methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine
• PubChem CID: 158346804
• Molecular Formula: C50H63ClN10O12S4
• Molecular Weight: 1159.83 g/mol
• Exact Mass: 1158.32
• IUPAC Name: methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine
• SMILES: CS(=O)(=O)Cl.CS(=O)(=O)N1CCC(c2ccc(-c3cc4nccnc4c(OC[C@@H]4CN(S(C)(=O)=O)CCO4)n3)cc2)CC1.CS(=O)(=O)N1CCO[C@H](COc2nc(-c3ccc(C4CCNCC4)cc3)cc3nccnc23)C1
• InChI: InChI=1S/C25H31N5O6S2.C24H29N5O4S.CH3ClO2S/c1-37(31,32)29-11-7-19(8-12-29)18-3-5-20(6-4-18)22-15-23-24(27-10-9-26-23)25(28-22)36-17-21-16-30(13-14-35-21)38(2,33)34;1-34(30,31)29-12-13-32-20(15-29)16-33-24-23-22(26-10-11-27-23)14-21(28-24)19-4-2-17(3-5-19)18-6-8-25-9-7-18;1-5(2,3)4/h3-6,9-10,15,19,21H,7-8,11-14,16-17H2,1-2H3;2-5,10-11,14,18,20,25H,6-9,12-13,15-16H2,1H3;1H3/t21-;20-;/m00./s1
• InChIKey: GRVFRUNMSULSHT-GMGSLMFDSA-N
• XLogP: 4.25
• TPSA: 272.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1159.83
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine?

The IUPAC name of methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine (CID 158346804) is methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine.

What is the SMILES notation for methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine?

The canonical SMILES for methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine is CS(=O)(=O)Cl.CS(=O)(=O)N1CCC(c2ccc(-c3cc4nccnc4c(OC[C@@H]4CN(S(C)(=O)=O)CCO4)n3)cc2)CC1.CS(=O)(=O)N1CCO[C@H](COc2nc(-c3ccc(C4CCNCC4)cc3)cc3nccnc23)C1.

What is the InChIKey of methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine?

The InChIKey is GRVFRUNMSULSHT-GMGSLMFDSA-N. The full InChI is InChI=1S/C25H31N5O6S2.C24H29N5O4S.CH3ClO2S/c1-37(31,32)29-11-7-19(8-12-29)18-3-5-20(6-4-18)22-15-23-24(27-10-9-26-23)25(28-22)36-17-21-16-30(13-14-35-21)38(2,33)34;1-34(30,31)29-12-13-32-20(15-29)16-33-24-23-22(26-10-11-27-23)14-21(28-24)19-4-2-17(3-5-19)18-6-8-25-9-7-18;1-5(2,3)4/h3-6,9-10,15,19,21H,7-8,11-14,16-17H2,1-2H3;2-5,10-11,14,18,20,25H,6-9,12-13,15-16H2,1H3;1H3/t21-;20-;/m00./s1.

What are the key properties of methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine?

methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine has a molecular weight of 1159.83 g/mol, XLogP of 4.25, 13 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine is sourced from PubChem (CID 158346804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).