3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide

C8H18N2O4S — CID 114809867

IUPAC3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CCOCC1CO
InChIInChI=1S/C8H18N2O4S/c1-2-3-9-15(12,13)10-4-5-14-7-8(10)6-11/h8-9,11H,2-7H2,1H3
InChIKeyXSPDIRDGPBJZKV-UHFFFAOYSA-N
MW238.31 g/mol
LogP-1.08
Rot. Bonds5

About 3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide

3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide (PubChem CID 114809867) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide
PubChem CID114809867
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide
SMILESCCCNS(=O)(=O)N1CCOCC1CO
InChIInChI=1S/C8H18N2O4S/c1-2-3-9-15(12,13)10-4-5-14-7-8(10)6-11/h8-9,11H,2-7H2,1H3
InChIKeyXSPDIRDGPBJZKV-UHFFFAOYSA-N
XLogP-1.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid
CID 114806693
3-amino-N-propylmorpholine-4-sulfonamide
CID 114809053
2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide
CID 114809725
3-amino-N-ethylmorpholine-4-sulfonamide
CID 114809058
[4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol
CID 126831492
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
[4-[[4-(propylamino)oxan-3-yl]methyl]morpholin-3-yl]methanol
CID 103060941
ethyl N-[3-(bromomethyl)morpholin-4-yl]sulfonylcarbamate
CID 114466959
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
CID 114810868
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 115754042
[4-[2-(methylamino)ethyl]morpholin-3-yl]methanol
CID 83816538

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide (CID 114809867) is 3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide is CCCNS(=O)(=O)N1CCOCC1CO.
What is the InChIKey of 3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide?
The InChIKey is XSPDIRDGPBJZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-2-3-9-15(12,13)10-4-5-14-7-8(10)6-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide?
3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide has a molecular weight of 238.31 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide is sourced from PubChem (CID 114809867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).