N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide

C14H24N4O4S — CID 45229737

IUPACN-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C14H24N4O4S/c1-3-8-23(20,21)16-5-4-13-11-18(6-7-22-13)12-9-14(19)17(2)15-10-12/h9-10,13,16H,3-8,11H2,1-2H3
InChIKeySRFJCSFEGUTRDX-UHFFFAOYSA-N
MW344.44 g/mol
LogP-0.29
Rot. Bonds7

About N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide

N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide (PubChem CID 45229737) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide
PubChem CID45229737
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC NameN-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C14H24N4O4S/c1-3-8-23(20,21)16-5-4-13-11-18(6-7-22-13)12-9-14(19)17(2)15-10-12/h9-10,13,16H,3-8,11H2,1-2H3
InChIKeySRFJCSFEGUTRDX-UHFFFAOYSA-N
XLogP-0.29
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide (CID 45229737) is N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1.
What is the InChIKey of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide?
The InChIKey is SRFJCSFEGUTRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-3-8-23(20,21)16-5-4-13-11-18(6-7-22-13)12-9-14(19)17(2)15-10-12/h9-10,13,16H,3-8,11H2,1-2H3.
What are the key properties of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide?
N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of -0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 45229737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).