2-(thiolan-3-yl)-1,3-thiazinane

C8H15NS2 — CID 107133550

IUPAC2-(thiolan-3-yl)-1,3-thiazinane
SMILESC1CNC(C2CCSC2)SC1
InChIInChI=1S/C8H15NS2/c1-3-9-8(11-4-1)7-2-5-10-6-7/h7-9H,1-6H2
InChIKeyNRRADYYDNBUFTI-UHFFFAOYSA-N
MW189.35 g/mol
LogP1.79
Rot. Bonds1

About 2-(thiolan-3-yl)-1,3-thiazinane

2-(thiolan-3-yl)-1,3-thiazinane (PubChem CID 107133550) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is 2-(thiolan-3-yl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(thiolan-3-yl)-1,3-thiazinane
PubChem CID107133550
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name2-(thiolan-3-yl)-1,3-thiazinane
SMILESC1CNC(C2CCSC2)SC1
InChIInChI=1S/C8H15NS2/c1-3-9-8(11-4-1)7-2-5-10-6-7/h7-9H,1-6H2
InChIKeyNRRADYYDNBUFTI-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiolan-3-yl)piperidine
CID 82653358
2-(oxolan-3-yl)-1,3-thiazinane
CID 66218262
(3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole
CID 96733476
2-cyclohex-3-en-1-yl-1,3-thiazinane
CID 66218259
3-cyclobutylthiomorpholine
CID 105430849
(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran
CID 22215290
3-cyclopropyl-2-methyl-1,4-thiazepane
CID 66218764
4-(thian-3-yl)piperidine
CID 82602229
2-(thiolan-3-ylmethyl)pyrrolidine
CID 82653355
2-pyrrolidin-2-yl-1-(thiolan-3-ylmethyl)pyrrolidine
CID 107133151
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
2-cyclopentylpyrrolidine
CID 4031549

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yl)-1,3-thiazinane?
The IUPAC name of 2-(thiolan-3-yl)-1,3-thiazinane (CID 107133550) is 2-(thiolan-3-yl)-1,3-thiazinane.
What is the SMILES notation for 2-(thiolan-3-yl)-1,3-thiazinane?
The canonical SMILES for 2-(thiolan-3-yl)-1,3-thiazinane is C1CNC(C2CCSC2)SC1.
What is the InChIKey of 2-(thiolan-3-yl)-1,3-thiazinane?
The InChIKey is NRRADYYDNBUFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2/c1-3-9-8(11-4-1)7-2-5-10-6-7/h7-9H,1-6H2.
What are the key properties of 2-(thiolan-3-yl)-1,3-thiazinane?
2-(thiolan-3-yl)-1,3-thiazinane has a molecular weight of 189.35 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yl)-1,3-thiazinane is sourced from PubChem (CID 107133550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).