4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

C17H21FN4O2S — CID 126785407

IUPAC4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CCN(c3ncnc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C17H21FN4O2S/c18-13-1-2-16-15(11-13)17(20-12-19-16)22-5-3-14(4-6-22)21-7-9-25(23,24)10-8-21/h1-2,11-12,14H,3-10H2
InChIKeyYGNDKUBWDMSZDN-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.47
Rot. Bonds2

About 4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide

4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 126785407) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID126785407
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(C2CCN(c3ncnc4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C17H21FN4O2S/c18-13-1-2-16-15(11-13)17(20-12-19-16)22-5-3-14(4-6-22)21-7-9-25(23,24)10-8-21/h1-2,11-12,14H,3-10H2
InChIKeyYGNDKUBWDMSZDN-UHFFFAOYSA-N
XLogP1.47
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (CID 126785407) is 4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(C2CCN(c3ncnc4ccc(F)cc34)CC2)CC1.
What is the InChIKey of 4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is YGNDKUBWDMSZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c18-13-1-2-16-15(11-13)17(20-12-19-16)22-5-3-14(4-6-22)21-7-9-25(23,24)10-8-21/h1-2,11-12,14H,3-10H2.
What are the key properties of 4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 364.45 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 126785407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).