[5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine

C8H18N2O5S2 — CID 82842298

IUPAC[5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H18N2O5S2/c1-7-5-15-8(3-9)4-10(7)17(13,14)6-16(2,11)12/h7-8H,3-6,9H2,1-2H3
InChIKeyCWURORARDFGCSU-UHFFFAOYSA-N
MW286.38 g/mol
LogP-1.63
Rot. Bonds4

About [5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine

[5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine (PubChem CID 82842298) has the molecular formula C8H18N2O5S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine
PubChem CID82842298
Molecular FormulaC8H18N2O5S2
Molecular Weight286.38 g/mol
Exact Mass286.07
IUPAC Name[5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H18N2O5S2/c1-7-5-15-8(3-9)4-10(7)17(13,14)6-16(2,11)12/h7-8H,3-6,9H2,1-2H3
InChIKeyCWURORARDFGCSU-UHFFFAOYSA-N
XLogP-1.63
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(bromomethyl)-5-methyl-4-(methylsulfonylmethylsulfonyl)morpholine
CID 82843190
2-(aminomethyl)-5-methylmorpholine-4-sulfonamide
CID 114959630
[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine
CID 81217702
[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
CID 83060013
[4-(difluoromethylsulfonyl)-5-methylmorpholin-2-yl]methanamine
CID 81216979
2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine
CID 81211688
[4-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
CID 81217308
[5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine
CID 102694127
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid
CID 81202826
[4-(2,5-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
CID 81218450
4-(bromomethylsulfonyl)-2,5-dimethylmorpholine
CID 83084634
[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81218861

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine (CID 82842298) is [5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine is CC1COC(CN)CN1S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of [5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine?
The InChIKey is CWURORARDFGCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S2/c1-7-5-15-8(3-9)4-10(7)17(13,14)6-16(2,11)12/h7-8H,3-6,9H2,1-2H3.
What are the key properties of [5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine?
[5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of -1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 82842298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).