1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid

C13H24N2O5S — CID 60859251

IUPAC1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCCC1COC(C)CN1S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O5S/c1-3-12-9-20-10(2)7-15(12)21(18,19)14-6-4-5-11(8-14)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyLSMJDAPQHJCZFV-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.53
Rot. Bonds4

About 1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid

1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 60859251) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
PubChem CID60859251
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid
SMILESCCC1COC(C)CN1S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O5S/c1-3-12-9-20-10(2)7-15(12)21(18,19)14-6-4-5-11(8-14)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyLSMJDAPQHJCZFV-UHFFFAOYSA-N
XLogP0.53
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 60857611
(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 81126016
1-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 60857643
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonylacetic acid
CID 43578522
1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 103494329
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
1-(3,4-dihydroxypyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 106668312
1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 62936890
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)piperidine-3-carboxylic acid
CID 66392901
4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine
CID 63666343
1-(3-aminopiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 61403844

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid (CID 60859251) is 1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid is CCC1COC(C)CN1S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is LSMJDAPQHJCZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-3-12-9-20-10(2)7-15(12)21(18,19)14-6-4-5-11(8-14)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid?
1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylmorpholin-4-yl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 60859251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).