1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine

C11H17N3S — CID 107295216

IUPAC1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCSC1)c1cnccn1
InChIInChI=1S/C11H17N3S/c1-9(11-7-12-3-4-13-11)14-6-10-2-5-15-8-10/h3-4,7,9-10,14H,2,5-6,8H2,1H3
InChIKeyFBCOKSHSSHAXHG-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.88
Rot. Bonds4

About 1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine

1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107295216) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107295216
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCSC1)c1cnccn1
InChIInChI=1S/C11H17N3S/c1-9(11-7-12-3-4-13-11)14-6-10-2-5-15-8-10/h3-4,7,9-10,14H,2,5-6,8H2,1H3
InChIKeyFBCOKSHSSHAXHG-UHFFFAOYSA-N
XLogP1.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine (CID 107295216) is 1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine is CC(NCC1CCSC1)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is FBCOKSHSSHAXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-9(11-7-12-3-4-13-11)14-6-10-2-5-15-8-10/h3-4,7,9-10,14H,2,5-6,8H2,1H3.
What are the key properties of 1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine?
1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 223.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107295216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).