2-morpholin-2-ylthiolane 1-oxide

C8H15NO2S — CID 173051110

IUPAC2-morpholin-2-ylthiolane 1-oxide
SMILESO=S1CCCC1C1CNCCO1
InChIInChI=1S/C8H15NO2S/c10-12-5-1-2-8(12)7-6-9-3-4-11-7/h7-9H,1-6H2
InChIKeyABFWQUVDETTWJI-UHFFFAOYSA-N
MW189.28 g/mol
LogP-0.11
Rot. Bonds1

About 2-morpholin-2-ylthiolane 1-oxide

2-morpholin-2-ylthiolane 1-oxide (PubChem CID 173051110) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-morpholin-2-ylthiolane 1-oxide.

Molecular Properties

Compound Name2-morpholin-2-ylthiolane 1-oxide
PubChem CID173051110
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-morpholin-2-ylthiolane 1-oxide
SMILESO=S1CCCC1C1CNCCO1
InChIInChI=1S/C8H15NO2S/c10-12-5-1-2-8(12)7-6-9-3-4-11-7/h7-9H,1-6H2
InChIKeyABFWQUVDETTWJI-UHFFFAOYSA-N
XLogP-0.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2S)-oxetan-2-yl]morpholine
CID 86311966
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-f][1,4]oxazepine
CID 92720088
(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[f][1,4]oxazepine
CID 10241032
2-(oxan-4-yl)morpholine;hydrochloride
CID 139026622
3-(oxolan-2-yl)pyrrolidine
CID 79493405
2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride
CID 53484266
(4aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[3,4-b][1,4]oxazine
CID 134179838
2-(1-methylpiperidin-4-yl)morpholine
CID 82406455
2-[(2S)-oxan-2-yl]-1,3-dithiane 1,3-dioxide
CID 102474179
2-[(2R)-oxan-2-yl]-1,3-dithiane 1,3-dioxide
CID 102474171
cyclobutyl morpholine-2-carboxylate
CID 62217575
2-oxa-5,9-diazabicyclo[6.2.0]decane
CID 118209815

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-ylthiolane 1-oxide?
The IUPAC name of 2-morpholin-2-ylthiolane 1-oxide (CID 173051110) is 2-morpholin-2-ylthiolane 1-oxide.
What is the SMILES notation for 2-morpholin-2-ylthiolane 1-oxide?
The canonical SMILES for 2-morpholin-2-ylthiolane 1-oxide is O=S1CCCC1C1CNCCO1.
What is the InChIKey of 2-morpholin-2-ylthiolane 1-oxide?
The InChIKey is ABFWQUVDETTWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c10-12-5-1-2-8(12)7-6-9-3-4-11-7/h7-9H,1-6H2.
What are the key properties of 2-morpholin-2-ylthiolane 1-oxide?
2-morpholin-2-ylthiolane 1-oxide has a molecular weight of 189.28 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-ylthiolane 1-oxide is sourced from PubChem (CID 173051110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).