cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane

C18H24N4O2S — CID 177053008

IUPACcyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC1CCN(c2ccnc3c(OC)nccc23)CC1)C1CC1
InChIInChI=1S/C18H24N4O2S/c1-24-18-17-15(4-8-21-18)16(5-9-20-17)22-10-6-13(7-11-22)12-25(19,23)14-2-3-14/h4-5,8-9,13-14,19H,2-3,6-7,10-12H2,1H3
InChIKeyBVERLGRDXZDSOD-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.06
Rot. Bonds5

About cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane

cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane (PubChem CID 177053008) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane
PubChem CID177053008
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Namecyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC1CCN(c2ccnc3c(OC)nccc23)CC1)C1CC1
InChIInChI=1S/C18H24N4O2S/c1-24-18-17-15(4-8-21-18)16(5-9-20-17)22-10-6-13(7-11-22)12-25(19,23)14-2-3-14/h4-5,8-9,13-14,19H,2-3,6-7,10-12H2,1H3
InChIKeyBVERLGRDXZDSOD-UHFFFAOYSA-N
XLogP3.06
TPSA79.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane?
The IUPAC name of cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane (CID 177053008) is cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane.
What is the SMILES notation for cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane?
The canonical SMILES for cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane is [H]N=S(=O)(CC1CCN(c2ccnc3c(OC)nccc23)CC1)C1CC1.
What is the InChIKey of cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane?
The InChIKey is BVERLGRDXZDSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-24-18-17-15(4-8-21-18)16(5-9-20-17)22-10-6-13(7-11-22)12-25(19,23)14-2-3-14/h4-5,8-9,13-14,19H,2-3,6-7,10-12H2,1H3.
What are the key properties of cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane?
cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane has a molecular weight of 360.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-imino-[[1-(8-methoxy-1,7-naphthyridin-4-yl)piperidin-4-yl]methyl]-oxo-λ6-sulfane is sourced from PubChem (CID 177053008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).