2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol

C10H17N3OS — CID 64807370

IUPAC2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol
SMILESCC(N)(CO)CCCSc1cnccn1
InChIInChI=1S/C10H17N3OS/c1-10(11,8-14)3-2-6-15-9-7-12-4-5-13-9/h4-5,7,14H,2-3,6,8,11H2,1H3
InChIKeyHDPVKWAHKOCCGZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.06
Rot. Bonds6

About 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol

2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol (PubChem CID 64807370) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol
PubChem CID64807370
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol
SMILESCC(N)(CO)CCCSc1cnccn1
InChIInChI=1S/C10H17N3OS/c1-10(11,8-14)3-2-6-15-9-7-12-4-5-13-9/h4-5,7,14H,2-3,6,8,11H2,1H3
InChIKeyHDPVKWAHKOCCGZ-UHFFFAOYSA-N
XLogP1.06
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol?
The IUPAC name of 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol (CID 64807370) is 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol is CC(N)(CO)CCCSc1cnccn1.
What is the InChIKey of 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol?
The InChIKey is HDPVKWAHKOCCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(11,8-14)3-2-6-15-9-7-12-4-5-13-9/h4-5,7,14H,2-3,6,8,11H2,1H3.
What are the key properties of 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol?
2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol is sourced from PubChem (CID 64807370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).