4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine

C10H18N2S2 — CID 137243262

IUPAC4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine
SMILESCC1CCS/C(=N\C2CCSC2C)N1
InChIInChI=1S/C10H18N2S2/c1-7-3-5-14-10(11-7)12-9-4-6-13-8(9)2/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyCHVPIZPBXZEQLM-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.35
Rot. Bonds1

About 4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine

4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine (PubChem CID 137243262) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine
PubChem CID137243262
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine
SMILESCC1CCS/C(=N\C2CCSC2C)N1
InChIInChI=1S/C10H18N2S2/c1-7-3-5-14-10(11-7)12-9-4-6-13-8(9)2/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyCHVPIZPBXZEQLM-UHFFFAOYSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine (CID 137243262) is 4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine is CC1CCS/C(=N\C2CCSC2C)N1.
What is the InChIKey of 4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine?
The InChIKey is CHVPIZPBXZEQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-7-3-5-14-10(11-7)12-9-4-6-13-8(9)2/h7-9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine?
4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine has a molecular weight of 230.40 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylthiolan-3-yl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 137243262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).