methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate

C12H20N4O4S — CID 61017743

IUPACmethyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NS(=O)(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C12H20N4O4S/c1-10-4-3-5-16(7-10)21(18,19)14-11-6-13-15(8-11)9-12(17)20-2/h6,8,10,14H,3-5,7,9H2,1-2H3
InChIKeyIHFBAHUDFCMGPR-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.44
Rot. Bonds5

About methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate

methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate (PubChem CID 61017743) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate
PubChem CID61017743
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Namemethyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NS(=O)(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C12H20N4O4S/c1-10-4-3-5-16(7-10)21(18,19)14-11-6-13-15(8-11)9-12(17)20-2/h6,8,10,14H,3-5,7,9H2,1-2H3
InChIKeyIHFBAHUDFCMGPR-UHFFFAOYSA-N
XLogP0.44
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-(piperidin-1-ylsulfonylamino)pyrazol-1-yl]acetate
CID 61017871
2-[4-(3-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510995
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63154396
N-(6-fluoro-3-pyridinyl)-3-methylpiperidine-1-sulfonamide
CID 103777926
methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
(2S)-5-methoxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]-5-oxopentanoic acid
CID 104935653
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide
CID 104592934
methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61018522
methyl 4-(3-methylpiperidin-1-yl)sulfonylbutanoate
CID 54952481
1-ethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684462
3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide
CID 75533812

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate (CID 61017743) is methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate is COC(=O)Cn1cc(NS(=O)(=O)N2CCCC(C)C2)cn1.
What is the InChIKey of methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate?
The InChIKey is IHFBAHUDFCMGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-10-4-3-5-16(7-10)21(18,19)14-11-6-13-15(8-11)9-12(17)20-2/h6,8,10,14H,3-5,7,9H2,1-2H3.
What are the key properties of methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate?
methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate has a molecular weight of 316.38 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate is sourced from PubChem (CID 61017743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).