2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide

C9H20N2O4S — CID 114809725

IUPAC2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(CO)OCC1C
InChIInChI=1S/C9H20N2O4S/c1-3-4-10-16(13,14)11-5-9(6-12)15-7-8(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyMCCUFSRQGQTVDW-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.69
Rot. Bonds5

About 2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide

2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide (PubChem CID 114809725) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide
PubChem CID114809725
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(CO)OCC1C
InChIInChI=1S/C9H20N2O4S/c1-3-4-10-16(13,14)11-5-9(6-12)15-7-8(11)2/h8-10,12H,3-7H2,1-2H3
InChIKeyMCCUFSRQGQTVDW-UHFFFAOYSA-N
XLogP-0.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol
CID 81219426
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid
CID 81202826
3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide
CID 114809867
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(propylamino)ethanone
CID 81202861
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81218861
2-(chloromethyl)-5-methyl-4-propylsulfonylmorpholine
CID 81211688
[(2S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290710
[(2R,5S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155291691
[(2S,5R)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290635
[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195724

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide (CID 114809725) is 2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide is CCCNS(=O)(=O)N1CC(CO)OCC1C.
What is the InChIKey of 2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide?
The InChIKey is MCCUFSRQGQTVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-3-4-10-16(13,14)11-5-9(6-12)15-7-8(11)2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide?
2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide has a molecular weight of 252.34 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide is sourced from PubChem (CID 114809725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).