1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide

C13H18N2O4S — CID 99714999

IUPAC1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)NS(=O)(=O)c2cccnc2)CCC1
InChIInChI=1S/C13H18N2O4S/c1-19-9-7-13(5-3-6-13)12(16)15-20(17,18)11-4-2-8-14-10-11/h2,4,8,10H,3,5-7,9H2,1H3,(H,15,16)
InChIKeyYUQWMWHPMZXMHL-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.09
Rot. Bonds6

About 1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide

1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide (PubChem CID 99714999) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide
PubChem CID99714999
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)NS(=O)(=O)c2cccnc2)CCC1
InChIInChI=1S/C13H18N2O4S/c1-19-9-7-13(5-3-6-13)12(16)15-20(17,18)11-4-2-8-14-10-11/h2,4,8,10H,3,5-7,9H2,1H3,(H,15,16)
InChIKeyYUQWMWHPMZXMHL-UHFFFAOYSA-N
XLogP1.09
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide (CID 99714999) is 1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide is COCCC1(C(=O)NS(=O)(=O)c2cccnc2)CCC1.
What is the InChIKey of 1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide?
The InChIKey is YUQWMWHPMZXMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-9-7-13(5-3-6-13)12(16)15-20(17,18)11-4-2-8-14-10-11/h2,4,8,10H,3,5-7,9H2,1H3,(H,15,16).
What are the key properties of 1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide?
1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide is sourced from PubChem (CID 99714999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).