(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone

C14H13NOS2 — CID 81261881

IUPAC(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
SMILESNc1ccc(C(=O)c2cc3c(s2)CCSC3)cc1
InChIInChI=1S/C14H13NOS2/c15-11-3-1-9(2-4-11)14(16)13-7-10-8-17-6-5-12(10)18-13/h1-4,7H,5-6,8,15H2
InChIKeyVSDLEEBMDPISEZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.35
Rot. Bonds2

About (4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone

(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone (PubChem CID 81261881) has the molecular formula C14H13NOS2 and a molecular weight of 275.40 g/mol. Its IUPAC name is (4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
PubChem CID81261881
Molecular FormulaC14H13NOS2
Molecular Weight275.40 g/mol
Exact Mass275.04
IUPAC Name(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
SMILESNc1ccc(C(=O)c2cc3c(s2)CCSC3)cc1
InChIInChI=1S/C14H13NOS2/c15-11-3-1-9(2-4-11)14(16)13-7-10-8-17-6-5-12(10)18-13/h1-4,7H,5-6,8,15H2
InChIKeyVSDLEEBMDPISEZ-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81260617
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylphenyl)methanone
CID 81268783
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,4-dimethylphenyl)methanone
CID 81260815
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 114972937
6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl)-3H-1,3-benzoxazol-2-one
CID 81265918
(3-bromo-4-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 104656925
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone
CID 81269669
(5-bromo-4-chlorothiophen-2-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261181
N-(2-amino-4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81269223
N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81269659
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanone
CID 115783386

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
The IUPAC name of (4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone (CID 81261881) is (4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone is Nc1ccc(C(=O)c2cc3c(s2)CCSC3)cc1.
What is the InChIKey of (4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
The InChIKey is VSDLEEBMDPISEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS2/c15-11-3-1-9(2-4-11)14(16)13-7-10-8-17-6-5-12(10)18-13/h1-4,7H,5-6,8,15H2.
What are the key properties of (4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?
(4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone is sourced from PubChem (CID 81261881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).