2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol

C12H21N3OS — CID 64806326

IUPAC2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol
SMILESCNC(C)(CO)CCCCSc1cnccn1
InChIInChI=1S/C12H21N3OS/c1-12(10-16,13-2)5-3-4-8-17-11-9-14-6-7-15-11/h6-7,9,13,16H,3-5,8,10H2,1-2H3
InChIKeyAQCDEPMFIFEZMF-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.71
Rot. Bonds8

About 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol

2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol (PubChem CID 64806326) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol
PubChem CID64806326
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol
SMILESCNC(C)(CO)CCCCSc1cnccn1
InChIInChI=1S/C12H21N3OS/c1-12(10-16,13-2)5-3-4-8-17-11-9-14-6-7-15-11/h6-7,9,13,16H,3-5,8,10H2,1-2H3
InChIKeyAQCDEPMFIFEZMF-UHFFFAOYSA-N
XLogP1.71
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol (CID 64806326) is 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol is CNC(C)(CO)CCCCSc1cnccn1.
What is the InChIKey of 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol?
The InChIKey is AQCDEPMFIFEZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(10-16,13-2)5-3-4-8-17-11-9-14-6-7-15-11/h6-7,9,13,16H,3-5,8,10H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol?
2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexan-1-ol is sourced from PubChem (CID 64806326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).