methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate

C11H22N2O4S — CID 54943298

IUPACmethyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-12(8-6-7-11(14)17-2)18(15,16)13-9-4-3-5-10-13/h3-10H2,1-2H3
InChIKeyUTNPISSIPMCWPG-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.60
Rot. Bonds6

About methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate

methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate (PubChem CID 54943298) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate
PubChem CID54943298
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O4S/c1-12(8-6-7-11(14)17-2)18(15,16)13-9-4-3-5-10-13/h3-10H2,1-2H3
InChIKeyUTNPISSIPMCWPG-UHFFFAOYSA-N
XLogP0.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate (CID 54943298) is methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate is COC(=O)CCCN(C)S(=O)(=O)N1CCCCC1.
What is the InChIKey of methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate?
The InChIKey is UTNPISSIPMCWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-12(8-6-7-11(14)17-2)18(15,16)13-9-4-3-5-10-13/h3-10H2,1-2H3.
What are the key properties of methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate?
methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate has a molecular weight of 278.37 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(piperidin-1-ylsulfonyl)amino]butanoate is sourced from PubChem (CID 54943298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).