2-methyl-1,3-thiazinane;hydrochloride

C5H12ClNS — CID 3061399

IUPAC2-methyl-1,3-thiazinane;hydrochloride
SMILESCC1NCCCS1.Cl
InChIInChI=1S/C5H11NS.ClH/c1-5-6-3-2-4-7-5;/h5-6H,2-4H2,1H3;1H
InChIKeyXLUVXAPRRXYJSZ-UHFFFAOYSA-N
MW153.68 g/mol
LogP1.48
Rot. Bonds

About 2-methyl-1,3-thiazinane;hydrochloride

2-methyl-1,3-thiazinane;hydrochloride (PubChem CID 3061399) has the molecular formula C5H12ClNS and a molecular weight of 153.68 g/mol. Its IUPAC name is 2-methyl-1,3-thiazinane;hydrochloride.

Molecular Properties

Compound Name2-methyl-1,3-thiazinane;hydrochloride
PubChem CID3061399
Molecular FormulaC5H12ClNS
Molecular Weight153.68 g/mol
Exact Mass153.04
IUPAC Name2-methyl-1,3-thiazinane;hydrochloride
SMILESCC1NCCCS1.Cl
InChIInChI=1S/C5H11NS.ClH/c1-5-6-3-2-4-7-5;/h5-6H,2-4H2,1H3;1H
InChIKeyXLUVXAPRRXYJSZ-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.68
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazinane;hydrochloride?
The IUPAC name of 2-methyl-1,3-thiazinane;hydrochloride (CID 3061399) is 2-methyl-1,3-thiazinane;hydrochloride.
What is the SMILES notation for 2-methyl-1,3-thiazinane;hydrochloride?
The canonical SMILES for 2-methyl-1,3-thiazinane;hydrochloride is CC1NCCCS1.Cl.
What is the InChIKey of 2-methyl-1,3-thiazinane;hydrochloride?
The InChIKey is XLUVXAPRRXYJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.ClH/c1-5-6-3-2-4-7-5;/h5-6H,2-4H2,1H3;1H.
What are the key properties of 2-methyl-1,3-thiazinane;hydrochloride?
2-methyl-1,3-thiazinane;hydrochloride has a molecular weight of 153.68 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazinane;hydrochloride is sourced from PubChem (CID 3061399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).