potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride

C35H56BClF3KN7O10S5+ — CID 157149059

About potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride

potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride (PubChem CID 157149059) has the molecular formula C35H56BClF3KN7O10S5+ and a molecular weight of 1037.56 g/mol. Its IUPAC name is potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride.

Molecular Properties

• Compound Name: potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride
• PubChem CID: 157149059
• Molecular Formula: C35H56BClF3KN7O10S5+
• Molecular Weight: 1037.56 g/mol
• Exact Mass: 1036.21
• IUPAC Name: potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride
• SMILES: CC[NH+]1CCS(=O)(=O)CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCS(=O)(=O)CC4)c(C)sc23)cc1NS(C)(=O)=O.FB(F)CCl.O=S1(=O)CCCCC1.[F-].[K+]
• InChI: InChI=1S/C23H30N6O6S3.C6H13NO2S.C5H10O2S.CH2BClF2.FH.K/c1-15-17(14-28-6-10-38(32,33)11-7-28)20-21(36-15)19(25-23(26-20)29-4-8-35-9-5-29)16-12-18(27-37(3,30)31)22(34-2)24-13-16;1-2-7-3-5-10(8,9)6-4-7;6-8(7)4-2-1-3-5-8;3-1-2(4)5;;/h12-13,27H,4-11,14H2,1-3H3;2-6H2,1H3;1-5H2;1H2;1H;/q;;;;;+1
• InChIKey: UXSGNSUQNGVCJY-UHFFFAOYSA-N
• XLogP: -4.39
• TPSA: 216.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.56
LogP ≤ 5	-4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride?

The IUPAC name of potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride (CID 157149059) is potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride.

What is the SMILES notation for potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride?

The canonical SMILES for potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride is CC[NH+]1CCS(=O)(=O)CC1.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCS(=O)(=O)CC4)c(C)sc23)cc1NS(C)(=O)=O.FB(F)CCl.O=S1(=O)CCCCC1.[F-].[K+].

What is the InChIKey of potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride?

The InChIKey is UXSGNSUQNGVCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O6S3.C6H13NO2S.C5H10O2S.CH2BClF2.FH.K/c1-15-17(14-28-6-10-38(32,33)11-7-28)20-21(36-15)19(25-23(26-20)29-4-8-35-9-5-29)16-12-18(27-37(3,30)31)22(34-2)24-13-16;1-2-7-3-5-10(8,9)6-4-7;6-8(7)4-2-1-3-5-8;3-1-2(4)5;;/h12-13,27H,4-11,14H2,1-3H3;2-6H2,1H3;1-5H2;1H2;1H;/q;;;;;+1.

What are the key properties of potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride?

potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride has a molecular weight of 1037.56 g/mol, XLogP of -4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;chloromethyl(difluoro)borane;N-[5-[7-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;4-ethyl-1,4-thiazinan-4-ium 1,1-dioxide;thiane 1,1-dioxide;fluoride is sourced from PubChem (CID 157149059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).