N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

C18H26N4S — CID 4783174

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
SMILESCC1(C)CC(Nc2ncnc3sc4c(c23)CCC4)CC(C)(C)N1
InChIInChI=1S/C18H26N4S/c1-17(2)8-11(9-18(3,4)22-17)21-15-14-12-6-5-7-13(12)23-16(14)20-10-19-15/h10-11,22H,5-9H2,1-4H3,(H,19,20,21)
InChIKeyHYCVQZRXVCFRAB-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.90
Rot. Bonds2

About N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine (PubChem CID 4783174) has the molecular formula C18H26N4S and a molecular weight of 330.50 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
PubChem CID4783174
Molecular FormulaC18H26N4S
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
SMILESCC1(C)CC(Nc2ncnc3sc4c(c23)CCC4)CC(C)(C)N1
InChIInChI=1S/C18H26N4S/c1-17(2)8-11(9-18(3,4)22-17)21-15-14-12-6-5-7-13(12)23-16(14)20-10-19-15/h10-11,22H,5-9H2,1-4H3,(H,19,20,21)
InChIKeyHYCVQZRXVCFRAB-UHFFFAOYSA-N
XLogP3.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine (CID 4783174) is N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine is CC1(C)CC(Nc2ncnc3sc4c(c23)CCC4)CC(C)(C)N1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The InChIKey is HYCVQZRXVCFRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4S/c1-17(2)8-11(9-18(3,4)22-17)21-15-14-12-6-5-7-13(12)23-16(14)20-10-19-15/h10-11,22H,5-9H2,1-4H3,(H,19,20,21).
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine has a molecular weight of 330.50 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine is sourced from PubChem (CID 4783174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).