4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine

C19H23N3O2S2 — CID 59826006

IUPAC4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine
SMILESO=S(=O)(c1cccc(CN2CCSCC2)c1)N1CCc2cccnc2C1
InChIInChI=1S/C19H23N3O2S2/c23-26(24,22-8-6-17-4-2-7-20-19(17)15-22)18-5-1-3-16(13-18)14-21-9-11-25-12-10-21/h1-5,7,13H,6,8-12,14-15H2
InChIKeyXVWVUAZCBIHIHP-UHFFFAOYSA-N
MW389.55 g/mol
LogP2.38
Rot. Bonds4

About 4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine

4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine (PubChem CID 59826006) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is 4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine
PubChem CID59826006
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC Name4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine
SMILESO=S(=O)(c1cccc(CN2CCSCC2)c1)N1CCc2cccnc2C1
InChIInChI=1S/C19H23N3O2S2/c23-26(24,22-8-6-17-4-2-7-20-19(17)15-22)18-5-1-3-16(13-18)14-21-9-11-25-12-10-21/h1-5,7,13H,6,8-12,14-15H2
InChIKeyXVWVUAZCBIHIHP-UHFFFAOYSA-N
XLogP2.38
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine?
The IUPAC name of 4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine (CID 59826006) is 4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine?
The canonical SMILES for 4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine is O=S(=O)(c1cccc(CN2CCSCC2)c1)N1CCc2cccnc2C1.
What is the InChIKey of 4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine?
The InChIKey is XVWVUAZCBIHIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c23-26(24,22-8-6-17-4-2-7-20-19(17)15-22)18-5-1-3-16(13-18)14-21-9-11-25-12-10-21/h1-5,7,13H,6,8-12,14-15H2.
What are the key properties of 4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine?
4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine has a molecular weight of 389.55 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]methyl]thiomorpholine is sourced from PubChem (CID 59826006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).