N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine

C14H18N4S — CID 106325942

IUPACN-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine
SMILESc1ccc2c(NCCN3CCSCC3)nncc2c1
InChIInChI=1S/C14H18N4S/c1-2-4-13-12(3-1)11-16-17-14(13)15-5-6-18-7-9-19-10-8-18/h1-4,11H,5-10H2,(H,15,17)
InChIKeyWINMCAZADIAKRP-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.09
Rot. Bonds4

About N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine

N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine (PubChem CID 106325942) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine
PubChem CID106325942
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine
SMILESc1ccc2c(NCCN3CCSCC3)nncc2c1
InChIInChI=1S/C14H18N4S/c1-2-4-13-12(3-1)11-16-17-14(13)15-5-6-18-7-9-19-10-8-18/h1-4,11H,5-10H2,(H,15,17)
InChIKeyWINMCAZADIAKRP-UHFFFAOYSA-N
XLogP2.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine (CID 106325942) is N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine is c1ccc2c(NCCN3CCSCC3)nncc2c1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine?
The InChIKey is WINMCAZADIAKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-2-4-13-12(3-1)11-16-17-14(13)15-5-6-18-7-9-19-10-8-18/h1-4,11H,5-10H2,(H,15,17).
What are the key properties of N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine?
N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine has a molecular weight of 274.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)phthalazin-1-amine is sourced from PubChem (CID 106325942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).