N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine

C11H20N2O2S2 — CID 137002756

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC2CCS(=O)(=O)C2)NC1C
InChIInChI=1S/C11H20N2O2S2/c1-8-6-16-11(13-9(8)2)12-5-10-3-4-17(14,15)7-10/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyYZEJRWBGLDGYCY-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.14
Rot. Bonds2

About N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine

N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine (PubChem CID 137002756) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
PubChem CID137002756
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC2CCS(=O)(=O)C2)NC1C
InChIInChI=1S/C11H20N2O2S2/c1-8-6-16-11(13-9(8)2)12-5-10-3-4-17(14,15)7-10/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyYZEJRWBGLDGYCY-UHFFFAOYSA-N
XLogP1.14
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747063
N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
CID 135977171
N-(2-ethylbutyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136960712
N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 164654580
N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136857894
N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
CID 135934689
4,5-dimethyl-N-[(4-methyloxan-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136723653
N-(2,2-dimethylcyclopentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948856
4,5-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-thiazinan-2-imine
CID 136765003
4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine
CID 136948902
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136993619
N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948835

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine (CID 137002756) is N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine is CC1CS/C(=N\CC2CCS(=O)(=O)C2)NC1C.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is YZEJRWBGLDGYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-8-6-16-11(13-9(8)2)12-5-10-3-4-17(14,15)7-10/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine?
N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 276.43 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 137002756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).