ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate

C16H28N4O4S — CID 9281904

IUPACethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)CC1
InChIInChI=1S/C16H28N4O4S/c1-6-24-16(21)14-7-9-19(10-8-14)11-20-13(3)15(12(2)17-20)25(22,23)18(4)5/h14H,6-11H2,1-5H3
InChIKeyXZFPYWZTCVKBOP-UHFFFAOYSA-N
MW372.49 g/mol
LogP0.98
Rot. Bonds6

About ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate (PubChem CID 9281904) has the molecular formula C16H28N4O4S and a molecular weight of 372.49 g/mol. Its IUPAC name is ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate
PubChem CID9281904
Molecular FormulaC16H28N4O4S
Molecular Weight372.49 g/mol
Exact Mass372.18
IUPAC Nameethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)CC1
InChIInChI=1S/C16H28N4O4S/c1-6-24-16(21)14-7-9-19(10-8-14)11-20-13(3)15(12(2)17-20)25(22,23)18(4)5/h14H,6-11H2,1-5H3
InChIKeyXZFPYWZTCVKBOP-UHFFFAOYSA-N
XLogP0.98
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]piperidin-1-ium-4-carboxylate
CID 9281938
N,N,3,5-tetramethyl-1-(pyrrolidin-1-ium-1-ylmethyl)pyrazole-4-sulfonamide
CID 9193192
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-[[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate
CID 2349059
ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409802
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-4-carboxylate
CID 26937105
1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine
CID 9184151
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate
CID 9281949
N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 53139381
ethyl 1-[[4-(2,3-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]piperidine-4-carboxylate
CID 9245476

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate (CID 9281904) is ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cn2nc(C)c(S(=O)(=O)N(C)C)c2C)CC1.
What is the InChIKey of ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate?
The InChIKey is XZFPYWZTCVKBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4S/c1-6-24-16(21)14-7-9-19(10-8-14)11-20-13(3)15(12(2)17-20)25(22,23)18(4)5/h14H,6-11H2,1-5H3.
What are the key properties of ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate has a molecular weight of 372.49 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 9281904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).