3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine

C10H17N3S — CID 63380519

IUPAC3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine
SMILESCC(C)(C)C(CN)Sc1cnccn1
InChIInChI=1S/C10H17N3S/c1-10(2,3)8(6-11)14-9-7-12-4-5-13-9/h4-5,7-8H,6,11H2,1-3H3
InChIKeyIZXLEQGMDKLABX-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.94
Rot. Bonds3

About 3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine

3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine (PubChem CID 63380519) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine
PubChem CID63380519
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine
SMILESCC(C)(C)C(CN)Sc1cnccn1
InChIInChI=1S/C10H17N3S/c1-10(2,3)8(6-11)14-9-7-12-4-5-13-9/h4-5,7-8H,6,11H2,1-3H3
InChIKeyIZXLEQGMDKLABX-UHFFFAOYSA-N
XLogP1.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine (CID 63380519) is 3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine is CC(C)(C)C(CN)Sc1cnccn1.
What is the InChIKey of 3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine?
The InChIKey is IZXLEQGMDKLABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(2,3)8(6-11)14-9-7-12-4-5-13-9/h4-5,7-8H,6,11H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine?
3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-pyrazin-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 63380519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).