3-ethyl-2-methyl-1,3-thiazinane

C7H15NS — CID 12634517

IUPAC3-ethyl-2-methyl-1,3-thiazinane
SMILESCCN1CCCSC1C
InChIInChI=1S/C7H15NS/c1-3-8-5-4-6-9-7(8)2/h7H,3-6H2,1-2H3
InChIKeyORFNUMXLBUATHF-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.79
Rot. Bonds1

About 3-ethyl-2-methyl-1,3-thiazinane

3-ethyl-2-methyl-1,3-thiazinane (PubChem CID 12634517) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1,3-thiazinane.

Molecular Properties

Compound Name3-ethyl-2-methyl-1,3-thiazinane
PubChem CID12634517
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-ethyl-2-methyl-1,3-thiazinane
SMILESCCN1CCCSC1C
InChIInChI=1S/C7H15NS/c1-3-8-5-4-6-9-7(8)2/h7H,3-6H2,1-2H3
InChIKeyORFNUMXLBUATHF-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diethyl-2-methyl-1,3-diazinane
CID 12634508
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
ethane;1-ethyl-2-methylazepane
CID 145020951
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
(1-ethylpyrrolidin-2-yl)-λ2-stannane
CID 174710208
(2S)-1-ethyl-2-methyl-1,4-diazepane
CID 92784931
1-ethyl-2-methyl-3-propan-2-ylpiperidine
CID 154952933
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
1-ethylpiperidine-2-thiol
CID 88741057
1,2-diethylpiperidine
CID 19604037
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1,3-thiazinane?
The IUPAC name of 3-ethyl-2-methyl-1,3-thiazinane (CID 12634517) is 3-ethyl-2-methyl-1,3-thiazinane.
What is the SMILES notation for 3-ethyl-2-methyl-1,3-thiazinane?
The canonical SMILES for 3-ethyl-2-methyl-1,3-thiazinane is CCN1CCCSC1C.
What is the InChIKey of 3-ethyl-2-methyl-1,3-thiazinane?
The InChIKey is ORFNUMXLBUATHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-8-5-4-6-9-7(8)2/h7H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-1,3-thiazinane?
3-ethyl-2-methyl-1,3-thiazinane has a molecular weight of 145.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1,3-thiazinane is sourced from PubChem (CID 12634517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).