4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid

C9H17NO5S — CID 43209523

IUPAC4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid
SMILESCC1CN(S(=O)(=O)CCCC(=O)O)CCO1
InChIInChI=1S/C9H17NO5S/c1-8-7-10(4-5-15-8)16(13,14)6-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyRUDXRLCVOBPLBI-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.10
Rot. Bonds5

About 4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid

4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid (PubChem CID 43209523) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid
PubChem CID43209523
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid
SMILESCC1CN(S(=O)(=O)CCCC(=O)O)CCO1
InChIInChI=1S/C9H17NO5S/c1-8-7-10(4-5-15-8)16(13,14)6-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyRUDXRLCVOBPLBI-UHFFFAOYSA-N
XLogP-0.10
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid?
The IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid (CID 43209523) is 4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid is CC1CN(S(=O)(=O)CCCC(=O)O)CCO1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid?
The InChIKey is RUDXRLCVOBPLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-8-7-10(4-5-15-8)16(13,14)6-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid?
4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid has a molecular weight of 251.30 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)sulfonylbutanoic acid is sourced from PubChem (CID 43209523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).