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

C12H22N2O5S — CID 61242477

IUPACmethyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H22N2O5S/c1-13(8-6-11(15)19-2)12(16)10-5-4-7-14(9-10)20(3,17)18/h10H,4-9H2,1-3H3
InChIKeyHZZBXAFPDQSRMD-UHFFFAOYSA-N
MW306.38 g/mol
LogP-0.32
Rot. Bonds5

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

methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate (PubChem CID 61242477) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
PubChem CID61242477
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Namemethyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H22N2O5S/c1-13(8-6-11(15)19-2)12(16)10-5-4-7-14(9-10)20(3,17)18/h10H,4-9H2,1-3H3
InChIKeyHZZBXAFPDQSRMD-UHFFFAOYSA-N
XLogP-0.32
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
methyl 3-[methyl-(1-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 55207954
methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate
CID 79623241
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 110837310
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
3-[methyl-[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119233258
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 55556659
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
methyl 4-(3-acetylpiperidin-1-yl)sulfonylbutanoate
CID 63852603

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate (CID 61242477) is methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate is COC(=O)CCN(C)C(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate?
The InChIKey is HZZBXAFPDQSRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-13(8-6-11(15)19-2)12(16)10-5-4-7-14(9-10)20(3,17)18/h10H,4-9H2,1-3H3.
What are the key properties of methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate?
methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate has a molecular weight of 306.38 g/mol, XLogP of -0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 61242477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).