methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate

C11H22N2O4S — CID 79623241

IUPACmethyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-12(9-11(14)17-2)7-10-5-4-6-13(8-10)18(3,15)16/h10H,4-9H2,1-3H3
InChIKeyLPAOCEAISTZFHT-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.24
Rot. Bonds5

About methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate

methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate (PubChem CID 79623241) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate
PubChem CID79623241
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H22N2O4S/c1-12(9-11(14)17-2)7-10-5-4-6-13(8-10)18(3,15)16/h10H,4-9H2,1-3H3
InChIKeyLPAOCEAISTZFHT-UHFFFAOYSA-N
XLogP-0.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanenitrile
CID 113249300
2-[2-(dimethylamino)ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetic acid
CID 107425042
2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636407
methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 61242477
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116747630
1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116707033
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
N-(2-bromoethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutanamine
CID 102861031
2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanethioamide
CID 79612367
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79610749
3-methoxy-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116746747

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate (CID 79623241) is methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate is COC(=O)CN(C)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate?
The InChIKey is LPAOCEAISTZFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-12(9-11(14)17-2)7-10-5-4-6-13(8-10)18(3,15)16/h10H,4-9H2,1-3H3.
What are the key properties of methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate?
methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate has a molecular weight of 278.37 g/mol, XLogP of -0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate is sourced from PubChem (CID 79623241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).