4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile

C15H16N4S — CID 103704215

IUPAC4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile
SMILESCSC1CCC(Nc2c(C#N)nnc3ccccc23)C1
InChIInChI=1S/C15H16N4S/c1-20-11-7-6-10(8-11)17-15-12-4-2-3-5-13(12)18-19-14(15)9-16/h2-5,10-11H,6-8H2,1H3,(H,17,18)
InChIKeyXTYBLRWSZDDYAJ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.20
Rot. Bonds3

About 4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile

4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile (PubChem CID 103704215) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile
PubChem CID103704215
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile
SMILESCSC1CCC(Nc2c(C#N)nnc3ccccc23)C1
InChIInChI=1S/C15H16N4S/c1-20-11-7-6-10(8-11)17-15-12-4-2-3-5-13(12)18-19-14(15)9-16/h2-5,10-11H,6-8H2,1H3,(H,17,18)
InChIKeyXTYBLRWSZDDYAJ-UHFFFAOYSA-N
XLogP3.20
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile
CID 114547691
4-[(2-propylcyclopropyl)amino]cinnoline-3-carbonitrile
CID 103710848
4-methyl-N-(3-methylsulfanylcyclopentyl)phthalazin-1-amine
CID 103704104
4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile
CID 114695438
4-(1-azabicyclo[2.2.2]octan-3-ylamino)cinnoline-3-carbonitrile
CID 64899836
4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile
CID 83018198
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile
CID 75792227
3-methyl-N-(3-methylsulfanylcyclopentyl)quinoxalin-2-amine
CID 103704143
4-[(1-methylsulfanylcyclobutyl)methylamino]cinnoline-3-carbonitrile
CID 107268715
4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile
CID 103269781
4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile
CID 80563975
6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile
CID 103704177

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile (CID 103704215) is 4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile is CSC1CCC(Nc2c(C#N)nnc3ccccc23)C1.
What is the InChIKey of 4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile?
The InChIKey is XTYBLRWSZDDYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-20-11-7-6-10(8-11)17-15-12-4-2-3-5-13(12)18-19-14(15)9-16/h2-5,10-11H,6-8H2,1H3,(H,17,18).
What are the key properties of 4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile?
4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile has a molecular weight of 284.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylsulfanylcyclopentyl)amino]cinnoline-3-carbonitrile is sourced from PubChem (CID 103704215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).