N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C9H16N2O2S2 — CID 62133068

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESO=S1(=O)CCC(CNC2=NCCCS2)C1
InChIInChI=1S/C9H16N2O2S2/c12-15(13)5-2-8(7-15)6-11-9-10-3-1-4-14-9/h8H,1-7H2,(H,10,11)
InChIKeyCKUVWYLVEOJDBY-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.50
Rot. Bonds2

About N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 62133068) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID62133068
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESO=S1(=O)CCC(CNC2=NCCCS2)C1
InChIInChI=1S/C9H16N2O2S2/c12-15(13)5-2-8(7-15)6-11-9-10-3-1-4-14-9/h8H,1-7H2,(H,10,11)
InChIKeyCKUVWYLVEOJDBY-UHFFFAOYSA-N
XLogP0.50
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 62133068) is N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is O=S1(=O)CCC(CNC2=NCCCS2)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is CKUVWYLVEOJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c12-15(13)5-2-8(7-15)6-11-9-10-3-1-4-14-9/h8H,1-7H2,(H,10,11).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 62133068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).