2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid

C9H18N2O5S — CID 114806693

IUPAC2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid
SMILESCCCNS(=O)(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-2-3-10-17(14,15)11-4-5-16-7-8(11)6-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyIJWCYRXSYFUVEX-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.59
Rot. Bonds6

About 2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid

2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid (PubChem CID 114806693) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid
PubChem CID114806693
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid
SMILESCCCNS(=O)(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-2-3-10-17(14,15)11-4-5-16-7-8(11)6-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyIJWCYRXSYFUVEX-UHFFFAOYSA-N
XLogP-0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide
CID 114809867
3-amino-N-propylmorpholine-4-sulfonamide
CID 114809053
2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid
CID 114805816
2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid
CID 83106592
2-[4-(2,5-dimethylthiophen-3-yl)sulfonylmorpholin-3-yl]acetic acid
CID 56903162
2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid
CID 56882504
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
ethyl N-[3-(bromomethyl)morpholin-4-yl]sulfonylcarbamate
CID 114466959
3-amino-N-ethylmorpholine-4-sulfonamide
CID 114809058
4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43612984
4-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylbutanoic acid
CID 83098790
4-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
CID 114807133

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid (CID 114806693) is 2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid is CCCNS(=O)(=O)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid?
The InChIKey is IJWCYRXSYFUVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-2-3-10-17(14,15)11-4-5-16-7-8(11)6-9(12)13/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid?
2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid has a molecular weight of 266.32 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propylsulfamoyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 114806693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).