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

C14H23N3OS — CID 64805702

IUPAC2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol
SMILESCC(CO)(CCCCSc1cnccn1)NC1CC1
InChIInChI=1S/C14H23N3OS/c1-14(11-18,17-12-4-5-12)6-2-3-9-19-13-10-15-7-8-16-13/h7-8,10,12,17-18H,2-6,9,11H2,1H3
InChIKeyYZWMEBFOEMVQGN-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.24
Rot. Bonds9

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

2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol (PubChem CID 64805702) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol
PubChem CID64805702
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol
SMILESCC(CO)(CCCCSc1cnccn1)NC1CC1
InChIInChI=1S/C14H23N3OS/c1-14(11-18,17-12-4-5-12)6-2-3-9-19-13-10-15-7-8-16-13/h7-8,10,12,17-18H,2-6,9,11H2,1H3
InChIKeyYZWMEBFOEMVQGN-UHFFFAOYSA-N
XLogP2.24
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-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-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol (CID 64805702) is 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol is CC(CO)(CCCCSc1cnccn1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol?
The InChIKey is YZWMEBFOEMVQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-14(11-18,17-12-4-5-12)6-2-3-9-19-13-10-15-7-8-16-13/h7-8,10,12,17-18H,2-6,9,11H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol?
2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol has a molecular weight of 281.42 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexan-1-ol is sourced from PubChem (CID 64805702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).