1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine

C12H15N3S2 — CID 55248128

IUPAC1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine
SMILESCc1ccsc1C(Sc1cnccn1)C(C)N
InChIInChI=1S/C12H15N3S2/c1-8-3-6-16-11(8)12(9(2)13)17-10-7-14-4-5-15-10/h3-7,9,12H,13H2,1-2H3
InChIKeyNKWVRLRCVZLCAU-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine

1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine (PubChem CID 55248128) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine
PubChem CID55248128
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine
SMILESCc1ccsc1C(Sc1cnccn1)C(C)N
InChIInChI=1S/C12H15N3S2/c1-8-3-6-16-11(8)12(9(2)13)17-10-7-14-4-5-15-10/h3-7,9,12H,13H2,1-2H3
InChIKeyNKWVRLRCVZLCAU-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine
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CID 107770385
1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
CID 62646457
1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
CID 63115022
(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 78973972
3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine
CID 64625617
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943753
1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380794
(3-methylthiophen-2-yl)-pyrimidin-5-ylmethanamine
CID 115827446
2-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanyl-N-ethylacetamide
CID 114233336
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CID 79989254
(4-methyl-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 66272658

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine (CID 55248128) is 1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine is Cc1ccsc1C(Sc1cnccn1)C(C)N.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine?
The InChIKey is NKWVRLRCVZLCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-8-3-6-16-11(8)12(9(2)13)17-10-7-14-4-5-15-10/h3-7,9,12H,13H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine?
1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine has a molecular weight of 265.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 55248128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).