methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C16H24N4O4S — CID 167928200

IUPACmethyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESC=CCN(CC=C)S(=O)(=O)NCc1nn2c(c1C(=O)OC)CCCC2
InChIInChI=1S/C16H24N4O4S/c1-4-9-19(10-5-2)25(22,23)17-12-13-15(16(21)24-3)14-8-6-7-11-20(14)18-13/h4-5,17H,1-2,6-12H2,3H3
InChIKeyCNUKHAIYIALURW-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.01
Rot. Bonds9

About methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 167928200) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID167928200
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Namemethyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESC=CCN(CC=C)S(=O)(=O)NCc1nn2c(c1C(=O)OC)CCCC2
InChIInChI=1S/C16H24N4O4S/c1-4-9-19(10-5-2)25(22,23)17-12-13-15(16(21)24-3)14-8-6-7-11-20(14)18-13/h4-5,17H,1-2,6-12H2,3H3
InChIKeyCNUKHAIYIALURW-UHFFFAOYSA-N
XLogP1.01
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 167928200) is methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is C=CCN(CC=C)S(=O)(=O)NCc1nn2c(c1C(=O)OC)CCCC2.
What is the InChIKey of methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is CNUKHAIYIALURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-4-9-19(10-5-2)25(22,23)17-12-13-15(16(21)24-3)14-8-6-7-11-20(14)18-13/h4-5,17H,1-2,6-12H2,3H3.
What are the key properties of methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[bis(prop-2-enyl)sulfamoylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 167928200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).