methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate

C11H22N2O4S — CID 71847849

IUPACmethyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H22N2O4S/c1-9-5-4-6-13(8-9)18(15,16)12-7-10(2)11(14)17-3/h9-10,12H,4-8H2,1-3H3
InChIKeyWVPNNCKHYYEEIT-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.36
Rot. Bonds5

About methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate

methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate (PubChem CID 71847849) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
PubChem CID71847849
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H22N2O4S/c1-9-5-4-6-13(8-9)18(15,16)12-7-10(2)11(14)17-3/h9-10,12H,4-8H2,1-3H3
InChIKeyWVPNNCKHYYEEIT-UHFFFAOYSA-N
XLogP0.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 62665582
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
CID 43606393
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066565
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457
(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
CID 39992415
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate (CID 71847849) is methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate is COC(=O)C(C)CNS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate?
The InChIKey is WVPNNCKHYYEEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-9-5-4-6-13(8-9)18(15,16)12-7-10(2)11(14)17-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate?
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate has a molecular weight of 278.37 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate is sourced from PubChem (CID 71847849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).