N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine

C15H18FN3S — CID 66053069

IUPACN-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccc1F)c1cnccn1
InChIInChI=1S/C15H18FN3S/c1-2-7-18-14(13-10-17-8-9-19-13)11-20-15-6-4-3-5-12(15)16/h3-6,8-10,14,18H,2,7,11H2,1H3
InChIKeyKRWICGXPNAQHNO-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine

N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine (PubChem CID 66053069) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine
PubChem CID66053069
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC NameN-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccc1F)c1cnccn1
InChIInChI=1S/C15H18FN3S/c1-2-7-18-14(13-10-17-8-9-19-13)11-20-15-6-4-3-5-12(15)16/h3-6,8-10,14,18H,2,7,11H2,1H3
InChIKeyKRWICGXPNAQHNO-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66051528
N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine
CID 63969223
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 114656036
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64628229
1-(2-fluorophenyl)sulfanyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64619887
2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 115860421
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 62601550
N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
CID 103759753
N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066987
N-[2-(2-chlorophenyl)sulfanyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 66140977

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine (CID 66053069) is N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine is CCCNC(CSc1ccccc1F)c1cnccn1.
What is the InChIKey of N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine?
The InChIKey is KRWICGXPNAQHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-2-7-18-14(13-10-17-8-9-19-13)11-20-15-6-4-3-5-12(15)16/h3-6,8-10,14,18H,2,7,11H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine?
N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine has a molecular weight of 291.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)sulfanyl-1-pyrazin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 66053069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).