(3-cyclopentylsulfanylpyrazin-2-yl)methanamine

C10H15N3S — CID 63115420

IUPAC(3-cyclopentylsulfanylpyrazin-2-yl)methanamine
SMILESNCc1nccnc1SC1CCCC1
InChIInChI=1S/C10H15N3S/c11-7-9-10(13-6-5-12-9)14-8-3-1-2-4-8/h5-6,8H,1-4,7,11H2
InChIKeyDGUGDNYHQJQSDF-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.97
Rot. Bonds3

About (3-cyclopentylsulfanylpyrazin-2-yl)methanamine

(3-cyclopentylsulfanylpyrazin-2-yl)methanamine (PubChem CID 63115420) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is (3-cyclopentylsulfanylpyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(3-cyclopentylsulfanylpyrazin-2-yl)methanamine
PubChem CID63115420
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name(3-cyclopentylsulfanylpyrazin-2-yl)methanamine
SMILESNCc1nccnc1SC1CCCC1
InChIInChI=1S/C10H15N3S/c11-7-9-10(13-6-5-12-9)14-8-3-1-2-4-8/h5-6,8H,1-4,7,11H2
InChIKeyDGUGDNYHQJQSDF-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopentylsulfanylpyrazin-2-yl)methanamine?
The IUPAC name of (3-cyclopentylsulfanylpyrazin-2-yl)methanamine (CID 63115420) is (3-cyclopentylsulfanylpyrazin-2-yl)methanamine.
What is the SMILES notation for (3-cyclopentylsulfanylpyrazin-2-yl)methanamine?
The canonical SMILES for (3-cyclopentylsulfanylpyrazin-2-yl)methanamine is NCc1nccnc1SC1CCCC1.
What is the InChIKey of (3-cyclopentylsulfanylpyrazin-2-yl)methanamine?
The InChIKey is DGUGDNYHQJQSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-7-9-10(13-6-5-12-9)14-8-3-1-2-4-8/h5-6,8H,1-4,7,11H2.
What are the key properties of (3-cyclopentylsulfanylpyrazin-2-yl)methanamine?
(3-cyclopentylsulfanylpyrazin-2-yl)methanamine has a molecular weight of 209.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentylsulfanylpyrazin-2-yl)methanamine is sourced from PubChem (CID 63115420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).