2-(aminomethyl)-5-methylmorpholine-4-sulfonamide

C6H15N3O3S — CID 114959630

IUPAC2-(aminomethyl)-5-methylmorpholine-4-sulfonamide
SMILESCC1COC(CN)CN1S(N)(=O)=O
InChIInChI=1S/C6H15N3O3S/c1-5-4-12-6(2-7)3-9(5)13(8,10)11/h5-6H,2-4,7H2,1H3,(H2,8,10,11)
InChIKeyVFWNPAIDZMWJFP-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.76
Rot. Bonds2

About 2-(aminomethyl)-5-methylmorpholine-4-sulfonamide

2-(aminomethyl)-5-methylmorpholine-4-sulfonamide (PubChem CID 114959630) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-methylmorpholine-4-sulfonamide
PubChem CID114959630
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC Name2-(aminomethyl)-5-methylmorpholine-4-sulfonamide
SMILESCC1COC(CN)CN1S(N)(=O)=O
InChIInChI=1S/C6H15N3O3S/c1-5-4-12-6(2-7)3-9(5)13(8,10)11/h5-6H,2-4,7H2,1H3,(H2,8,10,11)
InChIKeyVFWNPAIDZMWJFP-UHFFFAOYSA-N
XLogP-1.76
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanamine
CID 82842298
[4-(difluoromethylsulfonyl)-5-methylmorpholin-2-yl]methanamine
CID 81216979
[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-(3,4-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
CID 81217308
[5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine
CID 102694127
[4-(2,5-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
CID 81218450
2-(bromomethyl)-5-methyl-4-(methylsulfonylmethylsulfonyl)morpholine
CID 82843190
(5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol
CID 81219426
2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine
CID 81211688
[(2S,3S)-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 125145965
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid
CID 81202826

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methylmorpholine-4-sulfonamide?
The IUPAC name of 2-(aminomethyl)-5-methylmorpholine-4-sulfonamide (CID 114959630) is 2-(aminomethyl)-5-methylmorpholine-4-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-5-methylmorpholine-4-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-5-methylmorpholine-4-sulfonamide is CC1COC(CN)CN1S(N)(=O)=O.
What is the InChIKey of 2-(aminomethyl)-5-methylmorpholine-4-sulfonamide?
The InChIKey is VFWNPAIDZMWJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3S/c1-5-4-12-6(2-7)3-9(5)13(8,10)11/h5-6H,2-4,7H2,1H3,(H2,8,10,11).
What are the key properties of 2-(aminomethyl)-5-methylmorpholine-4-sulfonamide?
2-(aminomethyl)-5-methylmorpholine-4-sulfonamide has a molecular weight of 209.27 g/mol, XLogP of -1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methylmorpholine-4-sulfonamide is sourced from PubChem (CID 114959630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).