N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine

C12H20N4O3S — CID 71872271

IUPACN-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
SMILESCS(=O)(=O)CCN1CCOC(CNc2cccnn2)C1
InChIInChI=1S/C12H20N4O3S/c1-20(17,18)8-6-16-5-7-19-11(10-16)9-13-12-3-2-4-14-15-12/h2-4,11H,5-10H2,1H3,(H,13,15)
InChIKeyWPRPEXMJRKKLLZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.37
Rot. Bonds6

About N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine

N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine (PubChem CID 71872271) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
PubChem CID71872271
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
SMILESCS(=O)(=O)CCN1CCOC(CNc2cccnn2)C1
InChIInChI=1S/C12H20N4O3S/c1-20(17,18)8-6-16-5-7-19-11(10-16)9-13-12-3-2-4-14-15-12/h2-4,11H,5-10H2,1H3,(H,13,15)
InChIKeyWPRPEXMJRKKLLZ-UHFFFAOYSA-N
XLogP-0.37
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propan-2-yl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 96512499
N-[[(2R)-4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512563
N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872217
1-[3-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
CID 71872215
N-[[(2R)-4-(oxan-4-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512573
N-[[4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928034
N-[[(2R)-4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512555
N-[[(2R)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512611
N-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872216
N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512678
N-[[4-(oxolan-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872272
N-[[4-[(5-chlorothiophen-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928020

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine (CID 71872271) is N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine is CS(=O)(=O)CCN1CCOC(CNc2cccnn2)C1.
What is the InChIKey of N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
The InChIKey is WPRPEXMJRKKLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-20(17,18)8-6-16-5-7-19-11(10-16)9-13-12-3-2-4-14-15-12/h2-4,11H,5-10H2,1H3,(H,13,15).
What are the key properties of N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine?
N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine has a molecular weight of 300.38 g/mol, XLogP of -0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 71872271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).