N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide

C18H24N6O2S2 — CID 69236320

IUPACN-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide
SMILESCCCc1cc(N2CCCCC2NS(C)(=O)=O)nc2sc3c(N)ncnc3c12
InChIInChI=1S/C18H24N6O2S2/c1-3-6-11-9-13(24-8-5-4-7-12(24)23-28(2,25)26)22-18-14(11)15-16(27-18)17(19)21-10-20-15/h9-10,12,23H,3-8H2,1-2H3,(H2,19,20,21)
InChIKeyUCXDVSVWEGTASN-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.64
Rot. Bonds5

About N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide

N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide (PubChem CID 69236320) has the molecular formula C18H24N6O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide
PubChem CID69236320
Molecular FormulaC18H24N6O2S2
Molecular Weight420.56 g/mol
Exact Mass420.14
IUPAC NameN-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide
SMILESCCCc1cc(N2CCCCC2NS(C)(=O)=O)nc2sc3c(N)ncnc3c12
InChIInChI=1S/C18H24N6O2S2/c1-3-6-11-9-13(24-8-5-4-7-12(24)23-28(2,25)26)22-18-14(11)15-16(27-18)17(19)21-10-20-15/h9-10,12,23H,3-8H2,1-2H3,(H2,19,20,21)
InChIKeyUCXDVSVWEGTASN-UHFFFAOYSA-N
XLogP2.64
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-4-ol;ethane;methane
CID 143033503
3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278580
11-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 3381328
5-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine
CID 83057694
6-[4-(methylamino)piperidin-1-yl]-4-propyl-2-tritiothieno[2,3-b]pyridin-3-amine
CID 91260202
4-(3-amino-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide
CID 91128293
N-methyl-1-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63854574
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
4-methyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056730
4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83057547
3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400922
[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol
CID 116637089

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide (CID 69236320) is N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide is CCCc1cc(N2CCCCC2NS(C)(=O)=O)nc2sc3c(N)ncnc3c12.
What is the InChIKey of N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide?
The InChIKey is UCXDVSVWEGTASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S2/c1-3-6-11-9-13(24-8-5-4-7-12(24)23-28(2,25)26)22-18-14(11)15-16(27-18)17(19)21-10-20-15/h9-10,12,23H,3-8H2,1-2H3,(H2,19,20,21).
What are the key properties of N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide?
N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide has a molecular weight of 420.56 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-amino-13-propyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)piperidin-2-yl]methanesulfonamide is sourced from PubChem (CID 69236320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).