N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H20N2OS — CID 106352014

IUPACN-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(NC2CCOC2)=N1
InChIInChI=1S/C11H20N2OS/c1-8(2)10-4-6-15-11(13-10)12-9-3-5-14-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyNVVKPOMPIAMHJK-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.88
Rot. Bonds2

About N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352014) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352014
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)C1CCSC(NC2CCOC2)=N1
InChIInChI=1S/C11H20N2OS/c1-8(2)10-4-6-15-11(13-10)12-9-3-5-14-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyNVVKPOMPIAMHJK-UHFFFAOYSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine 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 N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352014) is N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)C1CCSC(NC2CCOC2)=N1.
What is the InChIKey of N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is NVVKPOMPIAMHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(2)10-4-6-15-11(13-10)12-9-3-5-14-7-9/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 228.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).