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

C11H22N2O4S — CID 81217702

IUPAC[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H22N2O4S/c1-9-7-17-11(5-12)6-13(9)18(14,15)8-10-3-2-4-16-10/h9-11H,2-8,12H2,1H3
InChIKeyYVPABPGKRPWSHK-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.46
Rot. Bonds4

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

[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine (PubChem CID 81217702) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is [5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine
PubChem CID81217702
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H22N2O4S/c1-9-7-17-11(5-12)6-13(9)18(14,15)8-10-3-2-4-16-10/h9-11H,2-8,12H2,1H3
InChIKeyYVPABPGKRPWSHK-UHFFFAOYSA-N
XLogP-0.46
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81218861
[5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine
CID 82842298
2-(aminomethyl)-5-methylmorpholine-4-sulfonamide
CID 114959630
[1-(oxolan-2-ylmethylsulfonyl)azepan-2-yl]methanamine
CID 116640178
[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
CID 83060013
[4-(difluoromethylsulfonyl)-5-methylmorpholin-2-yl]methanamine
CID 81216979
[1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine
CID 113415492
2-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-4-carboxylic acid
CID 106742431
1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine
CID 64560160
2-(chloromethyl)-6-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
CID 102938021
[(2R)-oxolan-2-yl]methanamine
CID 2734124
(2R)-2-ethyloxolane
CID 641529

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine (CID 81217702) is [5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine is CC1COC(CN)CN1S(=O)(=O)CC1CCCO1.
What is the InChIKey of [5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine?
The InChIKey is YVPABPGKRPWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-9-7-17-11(5-12)6-13(9)18(14,15)8-10-3-2-4-16-10/h9-11H,2-8,12H2,1H3.
What are the key properties of [5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine?
[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine has a molecular weight of 278.37 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 81217702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).