1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine

C14H16ClN3S — CID 63380794

IUPAC1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
SMILESCCC(N)C(Sc1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3S/c1-2-12(16)14(10-3-5-11(15)6-4-10)19-13-9-17-7-8-18-13/h3-9,12,14H,2,16H2,1H3
InChIKeyFDYZHQJYMWOSMV-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.70
Rot. Bonds5

About 1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine

1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine (PubChem CID 63380794) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
PubChem CID63380794
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
SMILESCCC(N)C(Sc1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3S/c1-2-12(16)14(10-3-5-11(15)6-4-10)19-13-9-17-7-8-18-13/h3-9,12,14H,2,16H2,1H3
InChIKeyFDYZHQJYMWOSMV-UHFFFAOYSA-N
XLogP3.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380747
1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine
CID 63380473
1-butylsulfanyl-1-(4-chlorophenyl)butan-2-amine
CID 55015354
1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 114866356
1-(4-chlorophenyl)-1-[(2-methylphenyl)methylsulfanyl]butan-2-amine
CID 63537086
1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
CID 64627830
3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine
CID 64625617
1-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylphenyl)butan-2-amine
CID 55015176
1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine
CID 55248128
N-methyl-2-pyrazin-2-ylsulfanylpentan-3-amine
CID 64628639
(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 1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine (CID 63380794) is 1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine is CCC(N)C(Sc1cnccn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine?
The InChIKey is FDYZHQJYMWOSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-2-12(16)14(10-3-5-11(15)6-4-10)19-13-9-17-7-8-18-13/h3-9,12,14H,2,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine?
1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine has a molecular weight of 293.82 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine is sourced from PubChem (CID 63380794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).