N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C14H15NO3S — CID 8899013

IUPACN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(N[C@@H]1CCSc2ccccc21)C1=COCCO1
InChIInChI=1S/C14H15NO3S/c16-14(12-9-17-6-7-18-12)15-11-5-8-19-13-4-2-1-3-10(11)13/h1-4,9,11H,5-8H2,(H,15,16)/t11-/m1/s1
InChIKeyBEZJYSDPUDXZSM-LLVKDONJSA-N
MW277.35 g/mol
LogP2.23
Rot. Bonds2

About N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 8899013) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID8899013
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(N[C@@H]1CCSc2ccccc21)C1=COCCO1
InChIInChI=1S/C14H15NO3S/c16-14(12-9-17-6-7-18-12)15-11-5-8-19-13-4-2-1-3-10(11)13/h1-4,9,11H,5-8H2,(H,15,16)/t11-/m1/s1
InChIKeyBEZJYSDPUDXZSM-LLVKDONJSA-N
XLogP2.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

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Related Compounds

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1,3-benzodioxole-5-carboxamide
CID 9118142
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
CID 51173241
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103862957
4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62687957
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide
CID 41176413
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336899
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
CID 47106126
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzamide
CID 8894216
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)urea
CID 42952552
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3H-benzimidazole-5-carboxamide
CID 25324948

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 8899013) is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(N[C@@H]1CCSc2ccccc21)C1=COCCO1.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is BEZJYSDPUDXZSM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15NO3S/c16-14(12-9-17-6-7-18-12)15-11-5-8-19-13-4-2-1-3-10(11)13/h1-4,9,11H,5-8H2,(H,15,16)/t11-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 8899013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).