N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine

C11H14N4S — CID 107589083

IUPACN-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESc1ncc(NC2=NC3(CCCC3)CS2)cn1
InChIInChI=1S/C11H14N4S/c1-2-4-11(3-1)7-16-10(15-11)14-9-5-12-8-13-6-9/h5-6,8H,1-4,7H2,(H,14,15)
InChIKeyJKZFVBQSNPGBKO-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.30
Rot. Bonds1

About N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine

N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine (PubChem CID 107589083) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine.

Molecular Properties

Compound NameN-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine
PubChem CID107589083
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESc1ncc(NC2=NC3(CCCC3)CS2)cn1
InChIInChI=1S/C11H14N4S/c1-2-4-11(3-1)7-16-10(15-11)14-9-5-12-8-13-6-9/h5-6,8H,1-4,7H2,(H,14,15)
InChIKeyJKZFVBQSNPGBKO-UHFFFAOYSA-N
XLogP2.30
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The IUPAC name of N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine (CID 107589083) is N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine.
What is the SMILES notation for N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The canonical SMILES for N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine is c1ncc(NC2=NC3(CCCC3)CS2)cn1.
What is the InChIKey of N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The InChIKey is JKZFVBQSNPGBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-4-11(3-1)7-16-10(15-11)14-9-5-12-8-13-6-9/h5-6,8H,1-4,7H2,(H,14,15).
What are the key properties of N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-yl-3-thia-1-azaspiro[4.4]non-1-en-2-amine is sourced from PubChem (CID 107589083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).