N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide

C16H22N6O2S — CID 10338695

IUPACN-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide
SMILESCSc1nc2nc3c(c(=O)n2[nH]1)CN(C(=O)NC1CCCCC1)CC3
InChIInChI=1S/C16H22N6O2S/c1-25-15-19-14-18-12-7-8-21(9-11(12)13(23)22(14)20-15)16(24)17-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,17,24)(H,18,19,20)
InChIKeyYIXURNRUSRUPKJ-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.54
Rot. Bonds2

About N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide

N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide (PubChem CID 10338695) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide
PubChem CID10338695
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC NameN-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide
SMILESCSc1nc2nc3c(c(=O)n2[nH]1)CN(C(=O)NC1CCCCC1)CC3
InChIInChI=1S/C16H22N6O2S/c1-25-15-19-14-18-12-7-8-21(9-11(12)13(23)22(14)20-15)16(24)17-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,17,24)(H,18,19,20)
InChIKeyYIXURNRUSRUPKJ-UHFFFAOYSA-N
XLogP1.54
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide?
The IUPAC name of N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide (CID 10338695) is N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide is CSc1nc2nc3c(c(=O)n2[nH]1)CN(C(=O)NC1CCCCC1)CC3.
What is the InChIKey of N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide?
The InChIKey is YIXURNRUSRUPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-25-15-19-14-18-12-7-8-21(9-11(12)13(23)22(14)20-15)16(24)17-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,17,24)(H,18,19,20).
What are the key properties of N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide?
N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methylsulfanyl-8-oxo-2,4,6,7,11-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,4-triene-11-carboxamide is sourced from PubChem (CID 10338695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).