3-methyl-1,3-thiazinan-2-imine

C5H10N2S — CID 21403285

IUPAC3-methyl-1,3-thiazinan-2-imine
SMILES[H]/N=C1\SCCCN1C
InChIInChI=1S/C5H10N2S/c1-7-3-2-4-8-5(7)6/h6H,2-4H2,1H3/b6-5-
InChIKeyBLTMKFBJBMBESG-WAYWQWQTSA-N
MW130.22 g/mol
LogP0.99
Rot. Bonds

About 3-methyl-1,3-thiazinan-2-imine

3-methyl-1,3-thiazinan-2-imine (PubChem CID 21403285) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 3-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name3-methyl-1,3-thiazinan-2-imine
PubChem CID21403285
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name3-methyl-1,3-thiazinan-2-imine
SMILES[H]/N=C1\SCCCN1C
InChIInChI=1S/C5H10N2S/c1-7-3-2-4-8-5(7)6/h6H,2-4H2,1H3/b6-5-
InChIKeyBLTMKFBJBMBESG-WAYWQWQTSA-N
XLogP0.99
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methyl-1,3-thiazinan-2-imine?
The IUPAC name of 3-methyl-1,3-thiazinan-2-imine (CID 21403285) is 3-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for 3-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for 3-methyl-1,3-thiazinan-2-imine is [H]/N=C1\SCCCN1C.
What is the InChIKey of 3-methyl-1,3-thiazinan-2-imine?
The InChIKey is BLTMKFBJBMBESG-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H10N2S/c1-7-3-2-4-8-5(7)6/h6H,2-4H2,1H3/b6-5-.
What are the key properties of 3-methyl-1,3-thiazinan-2-imine?
3-methyl-1,3-thiazinan-2-imine has a molecular weight of 130.22 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 21403285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).