N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine

C15H18FN3S — CID 63809715

IUPACN-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(F)ccc1Sc1cnccn1
InChIInChI=1S/C15H18FN3S/c1-11(2)8-18-9-12-7-13(16)3-4-14(12)20-15-10-17-5-6-19-15/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyPOJWBLRMRSIKCK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.51
Rot. Bonds6

About N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine

N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 63809715) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
PubChem CID63809715
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC NameN-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(F)ccc1Sc1cnccn1
InChIInChI=1S/C15H18FN3S/c1-11(2)8-18-9-12-7-13(16)3-4-14(12)20-15-10-17-5-6-19-15/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyPOJWBLRMRSIKCK-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864659
(1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943750
N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 55240383
N-[(5-chloro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 114864663
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63808217
N-[[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63806004
N-[(2-benzylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63806799
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol
CID 63835439
N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63813322
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
(1S)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943756
(1R)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 55247163

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine (CID 63809715) is N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(F)ccc1Sc1cnccn1.
What is the InChIKey of N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is POJWBLRMRSIKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-11(2)8-18-9-12-7-13(16)3-4-14(12)20-15-10-17-5-6-19-15/h3-7,10-11,18H,8-9H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 291.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63809715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).