N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine

C20H25F3N4O3S — CID 153398968

IUPACN-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine
SMILESCC1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNC2CCS(=O)(=O)CC2)O1
InChIInChI=1S/C20H25F3N4O3S/c1-13-11-27(12-15(30-13)9-25-14-4-7-31(28,29)8-5-14)17-10-26-19(20(21,22)23)18-16(17)3-2-6-24-18/h2-3,6,10,13-15,25H,4-5,7-9,11-12H2,1H3/t13?,15-/m0/s1
InChIKeyGEUWNLVQUCGEOY-WUJWULDRSA-N
MW458.51 g/mol
LogP2.41
Rot. Bonds4

About N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine

N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine (PubChem CID 153398968) has the molecular formula C20H25F3N4O3S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine
PubChem CID153398968
Molecular FormulaC20H25F3N4O3S
Molecular Weight458.51 g/mol
Exact Mass458.16
IUPAC NameN-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine
SMILESCC1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNC2CCS(=O)(=O)CC2)O1
InChIInChI=1S/C20H25F3N4O3S/c1-13-11-27(12-15(30-13)9-25-14-4-7-31(28,29)8-5-14)17-10-26-19(20(21,22)23)18-16(17)3-2-6-24-18/h2-3,6,10,13-15,25H,4-5,7-9,11-12H2,1H3/t13?,15-/m0/s1
InChIKeyGEUWNLVQUCGEOY-WUJWULDRSA-N
XLogP2.41
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine?
The IUPAC name of N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine (CID 153398968) is N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine?
The canonical SMILES for N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine is CC1CN(c2cnc(C(F)(F)F)c3ncccc23)C[C@H](CNC2CCS(=O)(=O)CC2)O1.
What is the InChIKey of N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine?
The InChIKey is GEUWNLVQUCGEOY-WUJWULDRSA-N. The full InChI is InChI=1S/C20H25F3N4O3S/c1-13-11-27(12-15(30-13)9-25-14-4-7-31(28,29)8-5-14)17-10-26-19(20(21,22)23)18-16(17)3-2-6-24-18/h2-3,6,10,13-15,25H,4-5,7-9,11-12H2,1H3/t13?,15-/m0/s1.
What are the key properties of N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine?
N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine has a molecular weight of 458.51 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-6-methyl-4-[8-(trifluoromethyl)-1,7-naphthyridin-5-yl]morpholin-2-yl]methyl]-1,1-dioxothian-4-amine is sourced from PubChem (CID 153398968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).