1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine

C13H14ClN3S — CID 114866356

IUPAC1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1Sc1cnccn1
InChIInChI=1S/C13H14ClN3S/c1-9(15)6-10-2-3-11(14)7-12(10)18-13-8-16-4-5-17-13/h2-5,7-9H,6,15H2,1H3
InChIKeyARQHZIDIMVPKRX-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.17
Rot. Bonds4

About 1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine

1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine (PubChem CID 114866356) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine
PubChem CID114866356
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1Sc1cnccn1
InChIInChI=1S/C13H14ClN3S/c1-9(15)6-10-2-3-11(14)7-12(10)18-13-8-16-4-5-17-13/h2-5,7-9H,6,15H2,1H3
InChIKeyARQHZIDIMVPKRX-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114865881
1-(2-chloro-6-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818341
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818342
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114866451
N-[(5-chloro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864659
N-[(5-chloro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 114864663
(1S)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943756
(1R)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 55247163
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943753
2-(2,5-dichlorophenyl)-1-pyrazin-2-ylethanamine
CID 65321517
(4-chloro-2-pyrimidin-4-ylsulfanylphenyl)methanamine
CID 63696942
1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine
CID 63809878

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine (CID 114866356) is 1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine is CC(N)Cc1ccc(Cl)cc1Sc1cnccn1.
What is the InChIKey of 1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine?
The InChIKey is ARQHZIDIMVPKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-9(15)6-10-2-3-11(14)7-12(10)18-13-8-16-4-5-17-13/h2-5,7-9H,6,15H2,1H3.
What are the key properties of 1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine?
1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine has a molecular weight of 279.80 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 114866356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).