4-indazol-1-ylthiomorpholine

C11H13N3S — CID 175715377

IUPAC4-indazol-1-ylthiomorpholine
SMILESc1ccc2c(c1)cnn2N1CCSCC1
InChIInChI=1S/C11H13N3S/c1-2-4-11-10(3-1)9-12-14(11)13-5-7-15-8-6-13/h1-4,9H,5-8H2
InChIKeySQMQENMNGOJGGG-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.72
Rot. Bonds1

About 4-indazol-1-ylthiomorpholine

4-indazol-1-ylthiomorpholine (PubChem CID 175715377) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-indazol-1-ylthiomorpholine.

Molecular Properties

Compound Name4-indazol-1-ylthiomorpholine
PubChem CID175715377
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name4-indazol-1-ylthiomorpholine
SMILESc1ccc2c(c1)cnn2N1CCSCC1
InChIInChI=1S/C11H13N3S/c1-2-4-11-10(3-1)9-12-14(11)13-5-7-15-8-6-13/h1-4,9H,5-8H2
InChIKeySQMQENMNGOJGGG-UHFFFAOYSA-N
XLogP1.72
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxyindazole;hydrate
CID 67284666
N-methylindazol-1-amine
CID 15129846
CID 119080865
CID 119080865
1-(1-methylpyrazol-4-yl)indazole
CID 154050163
N-pyrrolidin-1-ylindazol-1-amine
CID 22643435
1-[(2-methylpropan-2-yl)oxy]indazole
CID 89221145
indazole-1-sulfonyl chloride
CID 87951720
potassium tri(indazol-1-yl)boranuide
CID 134910198
ethane;methane;1-methylindazole
CID 142166782
indazol-1-yl(dimethyl)alumane
CID 16692298
1-ethynylindazole
CID 118207133
1,2-di(indazol-1-yl)ethane-1,2-dione
CID 139197503

Frequently Asked Questions

What is the IUPAC name of 4-indazol-1-ylthiomorpholine?
The IUPAC name of 4-indazol-1-ylthiomorpholine (CID 175715377) is 4-indazol-1-ylthiomorpholine.
What is the SMILES notation for 4-indazol-1-ylthiomorpholine?
The canonical SMILES for 4-indazol-1-ylthiomorpholine is c1ccc2c(c1)cnn2N1CCSCC1.
What is the InChIKey of 4-indazol-1-ylthiomorpholine?
The InChIKey is SQMQENMNGOJGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-4-11-10(3-1)9-12-14(11)13-5-7-15-8-6-13/h1-4,9H,5-8H2.
What are the key properties of 4-indazol-1-ylthiomorpholine?
4-indazol-1-ylthiomorpholine has a molecular weight of 219.31 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indazol-1-ylthiomorpholine is sourced from PubChem (CID 175715377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).