1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine

C17H20F2N4S — CID 134183157

IUPAC1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCc1nc(N2CCC(C)(N)CC2)cnc1Sc1cccc(F)c1F
InChIInChI=1S/C17H20F2N4S/c1-11-16(24-13-5-3-4-12(18)15(13)19)21-10-14(22-11)23-8-6-17(2,20)7-9-23/h3-5,10H,6-9,20H2,1-2H3
InChIKeyCIXWDOXBRQTRKS-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.53
Rot. Bonds3

About 1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine

1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine (PubChem CID 134183157) has the molecular formula C17H20F2N4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine
PubChem CID134183157
Molecular FormulaC17H20F2N4S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCc1nc(N2CCC(C)(N)CC2)cnc1Sc1cccc(F)c1F
InChIInChI=1S/C17H20F2N4S/c1-11-16(24-13-5-3-4-12(18)15(13)19)21-10-14(22-11)23-8-6-17(2,20)7-9-23/h3-5,10H,6-9,20H2,1-2H3
InChIKeyCIXWDOXBRQTRKS-UHFFFAOYSA-N
XLogP3.53
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine (CID 134183157) is 1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine is Cc1nc(N2CCC(C)(N)CC2)cnc1Sc1cccc(F)c1F.
What is the InChIKey of 1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine?
The InChIKey is CIXWDOXBRQTRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4S/c1-11-16(24-13-5-3-4-12(18)15(13)19)21-10-14(22-11)23-8-6-17(2,20)7-9-23/h3-5,10H,6-9,20H2,1-2H3.
What are the key properties of 1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine?
1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine has a molecular weight of 350.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluorophenyl)sulfanyl-6-methylpyrazin-2-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 134183157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).