N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine

C17H23FN4O2S — CID 156650414

IUPACN-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(C2C=NCC(NCC3CCC(F)C=N3)N2)cc1
InChIInChI=1S/C17H23FN4O2S/c1-25(23,24)15-6-2-12(3-7-15)16-10-19-11-17(22-16)21-9-14-5-4-13(18)8-20-14/h2-3,6-8,10,13-14,16-17,21-22H,4-5,9,11H2,1H3
InChIKeyCCMDNQNYYXSKDZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.29
Rot. Bonds5

About N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine

N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine (PubChem CID 156650414) has the molecular formula C17H23FN4O2S and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine
PubChem CID156650414
Molecular FormulaC17H23FN4O2S
Molecular Weight366.46 g/mol
Exact Mass366.15
IUPAC NameN-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(C2C=NCC(NCC3CCC(F)C=N3)N2)cc1
InChIInChI=1S/C17H23FN4O2S/c1-25(23,24)15-6-2-12(3-7-15)16-10-19-11-17(22-16)21-9-14-5-4-13(18)8-20-14/h2-3,6-8,10,13-14,16-17,21-22H,4-5,9,11H2,1H3
InChIKeyCCMDNQNYYXSKDZ-UHFFFAOYSA-N
XLogP1.29
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine?
The IUPAC name of N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine (CID 156650414) is N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine.
What is the SMILES notation for N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine?
The canonical SMILES for N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine is CS(=O)(=O)c1ccc(C2C=NCC(NCC3CCC(F)C=N3)N2)cc1.
What is the InChIKey of N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine?
The InChIKey is CCMDNQNYYXSKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2S/c1-25(23,24)15-6-2-12(3-7-15)16-10-19-11-17(22-16)21-9-14-5-4-13(18)8-20-14/h2-3,6-8,10,13-14,16-17,21-22H,4-5,9,11H2,1H3.
What are the key properties of N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine?
N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine has a molecular weight of 366.46 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3,4,5-tetrahydropyridin-2-yl)methyl]-6-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyrazin-2-amine is sourced from PubChem (CID 156650414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).