6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one

C18H26N2O2S2 — CID 98857219

IUPAC6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one
SMILESCCO[C@@H]1C[C@@H](N[C@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2
InChIInChI=1S/C18H26N2O2S2/c1-3-22-15-9-14(18(15)6-4-5-7-18)19-11(2)13-8-12-17(24-13)23-10-16(21)20-12/h8,11,14-15,19H,3-7,9-10H2,1-2H3,(H,20,21)/t11-,14-,15-/m1/s1
InChIKeyWJYFAQYBMUXADQ-KCPJHIHWSA-N
MW366.55 g/mol
LogP4.18
Rot. Bonds5

About 6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one

6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one (PubChem CID 98857219) has the molecular formula C18H26N2O2S2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one
PubChem CID98857219
Molecular FormulaC18H26N2O2S2
Molecular Weight366.55 g/mol
Exact Mass366.14
IUPAC Name6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one
SMILESCCO[C@@H]1C[C@@H](N[C@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2
InChIInChI=1S/C18H26N2O2S2/c1-3-22-15-9-14(18(15)6-4-5-7-18)19-11(2)13-8-12-17(24-13)23-10-16(21)20-12/h8,11,14-15,19H,3-7,9-10H2,1-2H3,(H,20,21)/t11-,14-,15-/m1/s1
InChIKeyWJYFAQYBMUXADQ-KCPJHIHWSA-N
XLogP4.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one (CID 98857219) is 6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one is CCO[C@@H]1C[C@@H](N[C@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2.
What is the InChIKey of 6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one?
The InChIKey is WJYFAQYBMUXADQ-KCPJHIHWSA-N. The full InChI is InChI=1S/C18H26N2O2S2/c1-3-22-15-9-14(18(15)6-4-5-7-18)19-11(2)13-8-12-17(24-13)23-10-16(21)20-12/h8,11,14-15,19H,3-7,9-10H2,1-2H3,(H,20,21)/t11-,14-,15-/m1/s1.
What are the key properties of 6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one?
6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one has a molecular weight of 366.55 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]ethyl]-1H-thieno[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 98857219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).