N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine

C18H24N4OS — CID 145080997

IUPACN-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine
SMILESCS/C(=C\N(C)N1CCOCC1)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H24N4OS/c1-20(21-10-12-23-13-11-21)15-18(24-2)14-16-4-6-17(7-5-16)22-9-3-8-19-22/h3-9,15H,10-14H2,1-2H3/b18-15-
InChIKeyVJGVWXCAZINESW-SDXDJHTJSA-N
MW344.48 g/mol
LogP2.80
Rot. Bonds6

About N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine

N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine (PubChem CID 145080997) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine
PubChem CID145080997
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine
SMILESCS/C(=C\N(C)N1CCOCC1)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H24N4OS/c1-20(21-10-12-23-13-11-21)15-18(24-2)14-16-4-6-17(7-5-16)22-9-3-8-19-22/h3-9,15H,10-14H2,1-2H3/b18-15-
InChIKeyVJGVWXCAZINESW-SDXDJHTJSA-N
XLogP2.80
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine?
The IUPAC name of N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine (CID 145080997) is N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine.
What is the SMILES notation for N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine?
The canonical SMILES for N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine is CS/C(=C\N(C)N1CCOCC1)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine?
The InChIKey is VJGVWXCAZINESW-SDXDJHTJSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-20(21-10-12-23-13-11-21)15-18(24-2)14-16-4-6-17(7-5-16)22-9-3-8-19-22/h3-9,15H,10-14H2,1-2H3/b18-15-.
What are the key properties of N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine?
N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine has a molecular weight of 344.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-2-methylsulfanyl-3-(4-pyrazol-1-ylphenyl)prop-1-enyl]morpholin-4-amine is sourced from PubChem (CID 145080997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).