2-(methylsulfinylmethyl)morpholine

C6H13NO2S — CID 84716945

IUPAC2-(methylsulfinylmethyl)morpholine
SMILESCS(=O)CC1CNCCO1
InChIInChI=1S/C6H13NO2S/c1-10(8)5-6-4-7-2-3-9-6/h6-7H,2-5H2,1H3
InChIKeyGYARWERGEHAAPO-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.65
Rot. Bonds2

About 2-(methylsulfinylmethyl)morpholine

2-(methylsulfinylmethyl)morpholine (PubChem CID 84716945) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-(methylsulfinylmethyl)morpholine.

Molecular Properties

Compound Name2-(methylsulfinylmethyl)morpholine
PubChem CID84716945
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-(methylsulfinylmethyl)morpholine
SMILESCS(=O)CC1CNCCO1
InChIInChI=1S/C6H13NO2S/c1-10(8)5-6-4-7-2-3-9-6/h6-7H,2-5H2,1H3
InChIKeyGYARWERGEHAAPO-UHFFFAOYSA-N
XLogP-0.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(morpholin-2-ylmethyl)morpholine
CID 18506039
2-[[(2S)-oxiran-2-yl]methyl]morpholine
CID 87626819
(2S)-2-(methoxymethyl)morpholine;(2R)-2-(methoxymethyl)morpholine
CID 163652511
(2S)-2-(methoxymethyl)morpholine
CID 10103206
[(2R)-morpholin-2-yl]methanol;hydrochloride
CID 42614735
2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine
CID 112741743
ethane;3-morpholin-2-ylpropanal
CID 142839724
N-[[(2S)-morpholin-2-yl]methyl]methanesulfonamide
CID 93215764
1-morpholin-2-ylbutan-2-one
CID 116586154
2-(methoxymethyl)morpholine;hydrochloride
CID 19777233
2-morpholin-2-ylsulfinylmorpholine
CID 90151752
dimethyl-[[(2R)-morpholin-2-yl]methylimino]-oxo-λ6-sulfane
CID 139359823

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfinylmethyl)morpholine?
The IUPAC name of 2-(methylsulfinylmethyl)morpholine (CID 84716945) is 2-(methylsulfinylmethyl)morpholine.
What is the SMILES notation for 2-(methylsulfinylmethyl)morpholine?
The canonical SMILES for 2-(methylsulfinylmethyl)morpholine is CS(=O)CC1CNCCO1.
What is the InChIKey of 2-(methylsulfinylmethyl)morpholine?
The InChIKey is GYARWERGEHAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10(8)5-6-4-7-2-3-9-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-(methylsulfinylmethyl)morpholine?
2-(methylsulfinylmethyl)morpholine has a molecular weight of 163.24 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfinylmethyl)morpholine is sourced from PubChem (CID 84716945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).