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

C17H21N3O2S — CID 671405

IUPAC(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc3c(cc12)CCCCC3
InChIInChI=1S/C17H21N3O2S/c18-14-12-10-11-4-2-1-3-5-13(11)19-16(12)23-15(14)17(21)20-6-8-22-9-7-20/h10H,1-9,18H2
InChIKeyNSLXIAJZVXJDRY-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.62
Rot. Bonds1

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

(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-morpholin-4-ylmethanone (PubChem CID 671405) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 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)-morpholin-4-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)-morpholin-4-ylmethanone
PubChem CID671405
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc3c(cc12)CCCCC3
InChIInChI=1S/C17H21N3O2S/c18-14-12-10-11-4-2-1-3-5-13(11)19-16(12)23-15(14)17(21)20-6-8-22-9-7-20/h10H,1-9,18H2
InChIKeyNSLXIAJZVXJDRY-UHFFFAOYSA-N
XLogP2.62
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-(4-Morpholinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 615872
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-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 680201
3-Amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 766178
3-amino-N-(2,6-difluorophenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508263
3-amino-N-benzyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1541121
3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 699688
ST024840
CID 716205
3-Amino-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 2839290

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)-morpholin-4-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)-morpholin-4-ylmethanone (CID 671405) is (6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-morpholin-4-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)-morpholin-4-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)-morpholin-4-ylmethanone is Nc1c(C(=O)N2CCOCC2)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)-morpholin-4-ylmethanone?
The InChIKey is NSLXIAJZVXJDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c18-14-12-10-11-4-2-1-3-5-13(11)19-16(12)23-15(14)17(21)20-6-8-22-9-7-20/h10H,1-9,18H2.
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)-morpholin-4-ylmethanone?
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-morpholin-4-ylmethanone has a molecular weight of 331.44 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 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)-morpholin-4-ylmethanone is sourced from PubChem (CID 671405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).