N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide

C17H26N4O4S — CID 126935361

IUPACN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide
SMILESO=c1cc2c(nn1C1CCC(NS(=O)(=O)N3CCOCC3)CC1)CCC2
InChIInChI=1S/C17H26N4O4S/c22-17-12-13-2-1-3-16(13)18-21(17)15-6-4-14(5-7-15)19-26(23,24)20-8-10-25-11-9-20/h12,14-15,19H,1-11H2
InChIKeyMDRAAIRTYLJQNH-UHFFFAOYSA-N
MW382.49 g/mol
LogP0.38
Rot. Bonds4

About N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide

N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide (PubChem CID 126935361) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide
PubChem CID126935361
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC NameN-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide
SMILESO=c1cc2c(nn1C1CCC(NS(=O)(=O)N3CCOCC3)CC1)CCC2
InChIInChI=1S/C17H26N4O4S/c22-17-12-13-2-1-3-16(13)18-21(17)15-6-4-14(5-7-15)19-26(23,24)20-8-10-25-11-9-20/h12,14-15,19H,1-11H2
InChIKeyMDRAAIRTYLJQNH-UHFFFAOYSA-N
XLogP0.38
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide?
The IUPAC name of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide (CID 126935361) is N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide is O=c1cc2c(nn1C1CCC(NS(=O)(=O)N3CCOCC3)CC1)CCC2.
What is the InChIKey of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide?
The InChIKey is MDRAAIRTYLJQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c22-17-12-13-2-1-3-16(13)18-21(17)15-6-4-14(5-7-15)19-26(23,24)20-8-10-25-11-9-20/h12,14-15,19H,1-11H2.
What are the key properties of N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide?
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide has a molecular weight of 382.49 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]morpholine-4-sulfonamide is sourced from PubChem (CID 126935361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).