N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine

C16H20N6S — CID 53469553

IUPACN,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine
SMILESCC1CCN(c2nc(N(C)C)nc3c2sc2nccnc23)CC1
InChIInChI=1S/C16H20N6S/c1-10-4-8-22(9-5-10)14-13-11(19-16(20-14)21(2)3)12-15(23-13)18-7-6-17-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyYHVHWIUEGGJSSE-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.94
Rot. Bonds2

About N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine

N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine (PubChem CID 53469553) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine
PubChem CID53469553
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC NameN,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine
SMILESCC1CCN(c2nc(N(C)C)nc3c2sc2nccnc23)CC1
InChIInChI=1S/C16H20N6S/c1-10-4-8-22(9-5-10)14-13-11(19-16(20-14)21(2)3)12-15(23-13)18-7-6-17-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyYHVHWIUEGGJSSE-UHFFFAOYSA-N
XLogP2.94
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine?
The IUPAC name of N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine (CID 53469553) is N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine?
The canonical SMILES for N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine is CC1CCN(c2nc(N(C)C)nc3c2sc2nccnc23)CC1.
What is the InChIKey of N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine?
The InChIKey is YHVHWIUEGGJSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-10-4-8-22(9-5-10)14-13-11(19-16(20-14)21(2)3)12-15(23-13)18-7-6-17-12/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine?
N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine has a molecular weight of 328.45 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(4-methylpiperidin-1-yl)-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine is sourced from PubChem (CID 53469553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).