N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine

C11H17N3OS — CID 134177650

IUPACN-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine
SMILESCC(C)(C)SNC1(c2cnccn2)COC1
InChIInChI=1S/C11H17N3OS/c1-10(2,3)16-14-11(7-15-8-11)9-6-12-4-5-13-9/h4-6,14H,7-8H2,1-3H3
InChIKeyJFXOSHTVISBHHE-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.74
Rot. Bonds3

About N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine

N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine (PubChem CID 134177650) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine.

Molecular Properties

Compound NameN-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine
PubChem CID134177650
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine
SMILESCC(C)(C)SNC1(c2cnccn2)COC1
InChIInChI=1S/C11H17N3OS/c1-10(2,3)16-14-11(7-15-8-11)9-6-12-4-5-13-9/h4-6,14H,7-8H2,1-3H3
InChIKeyJFXOSHTVISBHHE-UHFFFAOYSA-N
XLogP1.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine?
The IUPAC name of N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine (CID 134177650) is N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine.
What is the SMILES notation for N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine?
The canonical SMILES for N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine is CC(C)(C)SNC1(c2cnccn2)COC1.
What is the InChIKey of N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine?
The InChIKey is JFXOSHTVISBHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-10(2,3)16-14-11(7-15-8-11)9-6-12-4-5-13-9/h4-6,14H,7-8H2,1-3H3.
What are the key properties of N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine?
N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine has a molecular weight of 239.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfanyl-3-pyrazin-2-yloxetan-3-amine is sourced from PubChem (CID 134177650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).