N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide

C14H16N2O2S — CID 67240399

IUPACN-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide
SMILESCC(=O)NC1=NC2(CCOc3ccccc32)CCS1
InChIInChI=1S/C14H16N2O2S/c1-10(17)15-13-16-14(7-9-19-13)6-8-18-12-5-3-2-4-11(12)14/h2-5H,6-9H2,1H3,(H,15,16,17)
InChIKeyKIPPMGACOGDVSH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.29
Rot. Bonds

About N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide

N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide (PubChem CID 67240399) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide.

Molecular Properties

Compound NameN-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide
PubChem CID67240399
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide
SMILESCC(=O)NC1=NC2(CCOc3ccccc32)CCS1
InChIInChI=1S/C14H16N2O2S/c1-10(17)15-13-16-14(7-9-19-13)6-8-18-12-5-3-2-4-11(12)14/h2-5H,6-9H2,1H3,(H,15,16,17)
InChIKeyKIPPMGACOGDVSH-UHFFFAOYSA-N
XLogP2.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4aR,6S,8aS)-8a-(2-methoxyphenyl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 145965420
(4aR,8aS)-8a-(2-methoxyphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71268733
6-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one
CID 135427858
2-[(2-phenoxyethyl)sulfanyl]-6-phenylpyrimidin-4(1H)-one
CID 135470720
4-[(3,5-dimethylphenyl)methyl]-2-(3-phenoxypropylsulfanyl)-1H-pyrimidin-6-one
CID 136310601
4-benzyl-2-(3-phenoxypropylsulfanyl)-1H-pyrimidin-6-one
CID 136310650
(4aS,8aS)-8a-[2-(trifluoromethoxy)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine
CID 57827139
7-Fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
CID 58316543
6-Fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
CID 58316551
5-Fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
CID 58316556
8-Fluoro-2,3,5',6'-tetrahydrospiro[chromene-4,4'-[1,3]thiazin]-2'-amine
CID 58316558
8a-[2-(trifluoromethoxy)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine
CID 70258926

Frequently Asked Questions

What is the IUPAC name of N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide?
The IUPAC name of N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide (CID 67240399) is N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide.
What is the SMILES notation for N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide?
The canonical SMILES for N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide is CC(=O)NC1=NC2(CCOc3ccccc32)CCS1.
What is the InChIKey of N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide?
The InChIKey is KIPPMGACOGDVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(17)15-13-16-14(7-9-19-13)6-8-18-12-5-3-2-4-11(12)14/h2-5H,6-9H2,1H3,(H,15,16,17).
What are the key properties of N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide?
N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide has a molecular weight of 276.36 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-ylacetamide is sourced from PubChem (CID 67240399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).