methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate

C11H20N2O5S — CID 60729585

IUPACmethyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H20N2O5S/c1-18-10(14)5-6-12-11(15)9-4-3-7-13(8-9)19(2,16)17/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyJFALRMDMUGCVLO-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.66
Rot. Bonds5

About methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate

methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate (PubChem CID 60729585) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
PubChem CID60729585
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Namemethyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H20N2O5S/c1-18-10(14)5-6-12-11(15)9-4-3-7-13(8-9)19(2,16)17/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyJFALRMDMUGCVLO-UHFFFAOYSA-N
XLogP-0.66
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860
methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 61242477
(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 124759709
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94122097
N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 83031962
(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 7030681
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 115362212

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate (CID 60729585) is methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate is COC(=O)CCNC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate?
The InChIKey is JFALRMDMUGCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-18-10(14)5-6-12-11(15)9-4-3-7-13(8-9)19(2,16)17/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate?
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate has a molecular weight of 292.36 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 60729585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).