6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide

C13H15N3O2S — CID 770990

IUPAC6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide
SMILESCC1(C)Cc2nc3sc(C(N)=O)c(N)c3cc2CO1
InChIInChI=1S/C13H15N3O2S/c1-13(2)4-8-6(5-18-13)3-7-9(14)10(11(15)17)19-12(7)16-8/h3H,4-5,14H2,1-2H3,(H2,15,17)
InChIKeyOGJFDLGNYPRTNK-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.83
Rot. Bonds1

About 6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide

6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide (PubChem CID 770990) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide.

Molecular Properties

Compound Name6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide
PubChem CID770990
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide
SMILESCC1(C)Cc2nc3sc(C(N)=O)c(N)c3cc2CO1
InChIInChI=1S/C13H15N3O2S/c1-13(2)4-8-6(5-18-13)3-7-9(14)10(11(15)17)19-12(7)16-8/h3H,4-5,14H2,1-2H3,(H2,15,17)
InChIKeyOGJFDLGNYPRTNK-UHFFFAOYSA-N
XLogP1.83
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide with MolForge

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Related Compounds

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CID 334460
Methyl 3-amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 753694
3-Amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 704064
9-Amino-5-isopropyl-2,2-dimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-one
CID 931282
2-Allyl-3,8,8-trimethyl-8,9-dihydro-2H,6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluoren-1-one
CID 753338
Propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate
CID 888534
N-(7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridin-3-yl)benzamide
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CID 1395543
Methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 2838748
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
(3-Amino-4-methoxymethyl-6-methylthieno[2,3-b]pyridin-2-yl)(piperidin-1-yl)methanone
CID 707716
3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 926746

Frequently Asked Questions

What is the IUPAC name of 6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide?
The IUPAC name of 6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide (CID 770990) is 6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide.
What is the SMILES notation for 6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide?
The canonical SMILES for 6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide is CC1(C)Cc2nc3sc(C(N)=O)c(N)c3cc2CO1.
What is the InChIKey of 6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide?
The InChIKey is OGJFDLGNYPRTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-13(2)4-8-6(5-18-13)3-7-9(14)10(11(15)17)19-12(7)16-8/h3H,4-5,14H2,1-2H3,(H2,15,17).
What are the key properties of 6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide?
6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxamide is sourced from PubChem (CID 770990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).