2-propyl-1,3-thiazinane;hydrochloride

C7H16ClNS — CID 3061402

IUPAC2-propyl-1,3-thiazinane;hydrochloride
SMILESCCCC1NCCCS1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-2-4-7-8-5-3-6-9-7;/h7-8H,2-6H2,1H3;1H
InChIKeyBKIBRZPQTOMGBH-UHFFFAOYSA-N
MW181.73 g/mol
LogP2.26
Rot. Bonds2

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

2-propyl-1,3-thiazinane;hydrochloride (PubChem CID 3061402) has the molecular formula C7H16ClNS and a molecular weight of 181.73 g/mol. Its IUPAC name is 2-propyl-1,3-thiazinane;hydrochloride.

Molecular Properties

Compound Name2-propyl-1,3-thiazinane;hydrochloride
PubChem CID3061402
Molecular FormulaC7H16ClNS
Molecular Weight181.73 g/mol
Exact Mass181.07
IUPAC Name2-propyl-1,3-thiazinane;hydrochloride
SMILESCCCC1NCCCS1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-2-4-7-8-5-3-6-9-7;/h7-8H,2-6H2,1H3;1H
InChIKeyBKIBRZPQTOMGBH-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.73
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-Triethyl-1,3,5-dithiazinane
CID 547350
2-Ethyl-4,6-dimethyldihydro-1,3,5-dithiazine
CID 529054
2-Methylthiomorpholine
CID 14953857
2-Propyl-1,3-thiazinane
CID 200393
2,6-Dimethylthiomorpholine
CID 103815
2-Ethylthiomorpholine
CID 21495166
4-Ethyldihydro-2,6-dimethyl-4H-1,3,5-dithiazine
CID 528360
1,3,5-Dithiazine, perhydro-6-butyl-2,4-dimethyl
CID 529058
2H-1,3-Thiazine, tetrahydro-2-methyl-, hydrochloride
CID 3061399
2-Ethyl-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061401
2-(Propan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061403
2H-1,3-Thiazine, tetrahydro-2-butyl-, hydrochloride
CID 3061405

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,3-thiazinane;hydrochloride?
The IUPAC name of 2-propyl-1,3-thiazinane;hydrochloride (CID 3061402) is 2-propyl-1,3-thiazinane;hydrochloride.
What is the SMILES notation for 2-propyl-1,3-thiazinane;hydrochloride?
The canonical SMILES for 2-propyl-1,3-thiazinane;hydrochloride is CCCC1NCCCS1.Cl.
What is the InChIKey of 2-propyl-1,3-thiazinane;hydrochloride?
The InChIKey is BKIBRZPQTOMGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.ClH/c1-2-4-7-8-5-3-6-9-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 2-propyl-1,3-thiazinane;hydrochloride?
2-propyl-1,3-thiazinane;hydrochloride has a molecular weight of 181.73 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,3-thiazinane;hydrochloride is sourced from PubChem (CID 3061402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).