(10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile

C17H10N2O3S — CID 40569432

IUPAC(10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@@H]1c1cccs1
InChIInChI=1S/C17H10N2O3S/c18-8-10-14(12-2-1-7-23-12)15-11(21-17(10)19)5-3-9-4-6-13(20)22-16(9)15/h1-7,14H,19H2/t14-/m0/s1
InChIKeyOJGHHPNXOXJIMJ-AWEZNQCLSA-N
MW322.35 g/mol
LogP3.07
Rot. Bonds1

About (10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile

(10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile (PubChem CID 40569432) has the molecular formula C17H10N2O3S and a molecular weight of 322.35 g/mol. Its IUPAC name is (10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile.

Molecular Properties

Compound Name(10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile
PubChem CID40569432
Molecular FormulaC17H10N2O3S
Molecular Weight322.35 g/mol
Exact Mass322.04
IUPAC Name(10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile
SMILESN#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@@H]1c1cccs1
InChIInChI=1S/C17H10N2O3S/c18-8-10-14(12-2-1-7-23-12)15-11(21-17(10)19)5-3-9-4-6-13(20)22-16(9)15/h1-7,14H,19H2/t14-/m0/s1
InChIKeyOJGHHPNXOXJIMJ-AWEZNQCLSA-N
XLogP3.07
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze (10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-3-amino-1-thiophen-2-yl-1H-benzo[f]chromene-2-carbonitrile
CID 968497
3,9-diamino-1,7-dithiophen-2-yl-1,7-dihydrochromeno[8,7-h]chromene-2,8-dicarbonitrile
CID 162787983
2-amino-5-oxo-6-phenyl-4-thiophen-2-yl-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4871562
(4R)-2-amino-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 698802
(4S)-2-amino-7-methyl-5-oxo-6-[[(2S)-oxolan-2-yl]methyl]-4-thiophen-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1395929
methyl (4S)-6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 679385
ethyl (4S)-6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 682852
6-amino-3-ethyl-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3141758
(10S)-12-amino-4-(ethylamino)-8-oxo-10-thiophen-2-yl-13-oxa-3-thia-5,7-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-11-carbonitrile
CID 7119209
12-amino-4-(ethylamino)-8-oxo-10-thiophen-2-yl-13-oxa-3-thia-5,7-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,11-tetraene-11-carbonitrile
CID 5018143
(4S)-2-amino-4-thiophen-2-yl-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile
CID 876921
(4R)-6-amino-3-(4-chlorophenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 978777

Frequently Asked Questions

What is the IUPAC name of (10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile?
The IUPAC name of (10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile (CID 40569432) is (10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile.
What is the SMILES notation for (10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile?
The canonical SMILES for (10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile is N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@@H]1c1cccs1.
What is the InChIKey of (10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile?
The InChIKey is OJGHHPNXOXJIMJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H10N2O3S/c18-8-10-14(12-2-1-7-23-12)15-11(21-17(10)19)5-3-9-4-6-13(20)22-16(9)15/h1-7,14H,19H2/t14-/m0/s1.
What are the key properties of (10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile?
(10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile has a molecular weight of 322.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-8-amino-2-oxo-10-thiophen-2-yl-10H-pyrano[2,3-f]chromene-9-carbonitrile is sourced from PubChem (CID 40569432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).