N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C9H16N2O2S2 — CID 43615514

IUPACN-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESO=S1(=O)CCC(NC2=NCCCS2)CC1
InChIInChI=1S/C9H16N2O2S2/c12-15(13)6-2-8(3-7-15)11-9-10-4-1-5-14-9/h8H,1-7H2,(H,10,11)
InChIKeyRMWTUUZLRCIZEK-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.65
Rot. Bonds1

About N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 43615514) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID43615514
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESO=S1(=O)CCC(NC2=NCCCS2)CC1
InChIInChI=1S/C9H16N2O2S2/c12-15(13)6-2-8(3-7-15)11-9-10-4-1-5-14-9/h8H,1-7H2,(H,10,11)
InChIKeyRMWTUUZLRCIZEK-UHFFFAOYSA-N
XLogP0.65
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 131091752
N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43373637
N-piperidin-4-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 115016981
N-(2,2-diethyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83029335
N-(1,3-dimethylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114505060
N-(1,1-dioxothian-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035492
N-(1,1-dioxothian-4-yl)-1-methyltetrazol-5-amine
CID 63151905
6-chloro-4-N-(1,1-dioxothian-4-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62862839
N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113496081
N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114516295
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 43615421
N-[(1S,2S)-2-methylcyclohexyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2376062

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 43615514) is N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is O=S1(=O)CCC(NC2=NCCCS2)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RMWTUUZLRCIZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c12-15(13)6-2-8(3-7-15)11-9-10-4-1-5-14-9/h8H,1-7H2,(H,10,11).
What are the key properties of N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 43615514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).