(2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone

C16H16N2O2S — CID 43174852

IUPAC(2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone
SMILESNc1sc2c(c1C(=O)N1CCOCC1)-c1ccccc1C2
InChIInChI=1S/C16H16N2O2S/c17-15-14(16(19)18-5-7-20-8-6-18)13-11-4-2-1-3-10(11)9-12(13)21-15/h1-4H,5-9,17H2
InChIKeyKKYKGVXAFAEYHZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.37
Rot. Bonds1

About (2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone

(2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone (PubChem CID 43174852) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone
PubChem CID43174852
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone
SMILESNc1sc2c(c1C(=O)N1CCOCC1)-c1ccccc1C2
InChIInChI=1S/C16H16N2O2S/c17-15-14(16(19)18-5-7-20-8-6-18)13-11-4-2-1-3-10(11)9-12(13)21-15/h1-4H,5-9,17H2
InChIKeyKKYKGVXAFAEYHZ-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

(2-amino-1H-indol-3-yl)-morpholin-4-ylmethanone
CID 135038079
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione
CID 1382504
4-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 70218339
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
13,13-dimethyl-8-(morpholine-4-carbonyl)-5H-isoindolo[2,3-b][2]benzazepin-7-one
CID 177478303
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione
CID 17449767
2-amino-N,N-dimethyl-4H-thieno[2,3-c]chromene-1-carboxamide
CID 43367285
(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
9H-fluorene;4-methylmorpholine
CID 158477262

Frequently Asked Questions

What is the IUPAC name of (2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone (CID 43174852) is (2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone is Nc1sc2c(c1C(=O)N1CCOCC1)-c1ccccc1C2.
What is the InChIKey of (2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone?
The InChIKey is KKYKGVXAFAEYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c17-15-14(16(19)18-5-7-20-8-6-18)13-11-4-2-1-3-10(11)9-12(13)21-15/h1-4H,5-9,17H2.
What are the key properties of (2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone?
(2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone has a molecular weight of 300.38 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4H-indeno[2,1-b]thiophen-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 43174852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).