2,3-diethyl-1,3-thiazinane

C8H17NS — CID 12634518

IUPAC2,3-diethyl-1,3-thiazinane
SMILESCCC1SCCCN1CC
InChIInChI=1S/C8H17NS/c1-3-8-9(4-2)6-5-7-10-8/h8H,3-7H2,1-2H3
InChIKeyBIANGRBEVUEBDR-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.18
Rot. Bonds2

About 2,3-diethyl-1,3-thiazinane

2,3-diethyl-1,3-thiazinane (PubChem CID 12634518) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2,3-diethyl-1,3-thiazinane.

Molecular Properties

Compound Name2,3-diethyl-1,3-thiazinane
PubChem CID12634518
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2,3-diethyl-1,3-thiazinane
SMILESCCC1SCCCN1CC
InChIInChI=1S/C8H17NS/c1-3-8-9(4-2)6-5-7-10-8/h8H,3-7H2,1-2H3
InChIKeyBIANGRBEVUEBDR-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Butyl 2-diethylaminoethyl sulfide
CID 85979176
(r,s)-3-Isopropylsulfanyl-1-methyl-piperidine
CID 15063103
N-ethyl-N-(propylsulfanylmethyl)ethanamine
CID 328273
4-Butylthiomorpholine
CID 12517933
Tetrahydro-3-methyl-2H-1,3-thiazine
CID 12634513
InChI=1/C6H13NS/c1-2-7-4-3-5-8-6-7/h2-6H2,1H
CID 12634516
InChI=1/C7H15NS/c1-7(2)8-4-3-5-9-6-8/h7H,3-6H2,1-2H
CID 12634520
3-Tert-butyl-1,3-thiazinane
CID 12634521
2,4-Dimethylthiomorpholine
CID 14953861
(2S)-2,4-dimethylthiomorpholine
CID 92981089
3-Ethyl-2,4-dimethylthiomorpholine
CID 12517922
2-Methyl-3.4-diathyl-thiomorpholin
CID 12517923

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-1,3-thiazinane?
The IUPAC name of 2,3-diethyl-1,3-thiazinane (CID 12634518) is 2,3-diethyl-1,3-thiazinane.
What is the SMILES notation for 2,3-diethyl-1,3-thiazinane?
The canonical SMILES for 2,3-diethyl-1,3-thiazinane is CCC1SCCCN1CC.
What is the InChIKey of 2,3-diethyl-1,3-thiazinane?
The InChIKey is BIANGRBEVUEBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-8-9(4-2)6-5-7-10-8/h8H,3-7H2,1-2H3.
What are the key properties of 2,3-diethyl-1,3-thiazinane?
2,3-diethyl-1,3-thiazinane has a molecular weight of 159.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-1,3-thiazinane is sourced from PubChem (CID 12634518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).