(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone

C18H23N3OS — CID 797224

IUPAC(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc3c(cc12)CCCCC3
InChIInChI=1S/C18H23N3OS/c19-15-13-11-12-7-3-1-4-8-14(12)20-17(13)23-16(15)18(22)21-9-5-2-6-10-21/h11H,1-10,19H2
InChIKeyZIEBPEDNMOQZDI-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.77
Rot. Bonds1

About (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone

(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone (PubChem CID 797224) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone
PubChem CID797224
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc2nc3c(cc12)CCCCC3
InChIInChI=1S/C18H23N3OS/c19-15-13-11-12-7-3-1-4-8-14(12)20-17(13)23-16(15)18(22)21-9-5-2-6-10-21/h11H,1-10,19H2
InChIKeyZIEBPEDNMOQZDI-UHFFFAOYSA-N
XLogP3.77
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
3-Amino-5-ethyl-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 750440
2-(4-Morpholinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 615872
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
(3-Amino-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridin-2-YL)(cyclopropyl)methanone
CID 673068
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
(3-Amino-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-2-YL)(phenyl)methanone
CID 716890
2-(4-Morpholinylcarbonyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridin-3-amine
CID 671405

Frequently Asked Questions

What is the IUPAC name of (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone (CID 797224) is (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone is Nc1c(C(=O)N2CCCCC2)sc2nc3c(cc12)CCCCC3.
What is the InChIKey of (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone?
The InChIKey is ZIEBPEDNMOQZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c19-15-13-11-12-7-3-1-4-8-14(12)20-17(13)23-16(15)18(22)21-9-5-2-6-10-21/h11H,1-10,19H2.
What are the key properties of (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone?
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone has a molecular weight of 329.47 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 797224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).