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

C11H20N2O2S2 — CID 113294351

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCC2CCCS2(=O)=O)SC1
InChIInChI=1S/C11H20N2O2S2/c1-11(2)7-13-10(16-8-11)12-6-9-4-3-5-17(9,14)15/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyZMEQUBLKJXEQCX-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.28
Rot. Bonds2

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

N-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 113294351) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID113294351
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCC2CCCS2(=O)=O)SC1
InChIInChI=1S/C11H20N2O2S2/c1-11(2)7-13-10(16-8-11)12-6-9-4-3-5-17(9,14)15/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyZMEQUBLKJXEQCX-UHFFFAOYSA-N
XLogP1.28
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.28
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-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 113294351) is N-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCC2CCCS2(=O)=O)SC1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is ZMEQUBLKJXEQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-11(2)7-13-10(16-8-11)12-6-9-4-3-5-17(9,14)15/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.28, 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-2-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 113294351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).