3-cyclobutylthiomorpholine

C8H15NS — CID 105430849

IUPAC3-cyclobutylthiomorpholine
SMILESC1CC(C2CSCCN2)C1
InChIInChI=1S/C8H15NS/c1-2-7(3-1)8-6-10-5-4-9-8/h7-9H,1-6H2
InChIKeyHSGUAKRNPCWPOZ-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.49
Rot. Bonds1

About 3-cyclobutylthiomorpholine

3-cyclobutylthiomorpholine (PubChem CID 105430849) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-cyclobutylthiomorpholine.

Molecular Properties

Compound Name3-cyclobutylthiomorpholine
PubChem CID105430849
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-cyclobutylthiomorpholine
SMILESC1CC(C2CSCCN2)C1
InChIInChI=1S/C8H15NS/c1-2-7(3-1)8-6-10-5-4-9-8/h7-9H,1-6H2
InChIKeyHSGUAKRNPCWPOZ-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole
CID 96733476
3-thia-10-azabicyclo[6.2.0]decane
CID 118210468
2-(thiolan-3-yl)piperidine
CID 82653358
1,2,3,5,5a,6,8,8a-octahydrofuro[3,4-e][1,4]thiazepine
CID 118210421
2-(thiolan-3-yl)-1,3-thiazinane
CID 107133550
3-thia-6,9-diazabicyclo[6.2.0]decane
CID 118210384
3,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[c]thiepine
CID 118209764
2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoxaline
CID 57117001
(4aR,7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]thiopyran
CID 22215290
2-cyclopentylpyrrolidine
CID 4031549
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(thiomorpholin-3-yl)methanone
CID 82916769

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutylthiomorpholine?
The IUPAC name of 3-cyclobutylthiomorpholine (CID 105430849) is 3-cyclobutylthiomorpholine.
What is the SMILES notation for 3-cyclobutylthiomorpholine?
The canonical SMILES for 3-cyclobutylthiomorpholine is C1CC(C2CSCCN2)C1.
What is the InChIKey of 3-cyclobutylthiomorpholine?
The InChIKey is HSGUAKRNPCWPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-7(3-1)8-6-10-5-4-9-8/h7-9H,1-6H2.
What are the key properties of 3-cyclobutylthiomorpholine?
3-cyclobutylthiomorpholine has a molecular weight of 157.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylthiomorpholine is sourced from PubChem (CID 105430849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).