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

C11H20N2O2S2 — CID 113496081

IUPACN-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(NC2CCCS(=O)(=O)C2)=N1
InChIInChI=1S/C11H20N2O2S2/c1-2-9-5-6-16-11(12-9)13-10-4-3-7-17(14,15)8-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyJYRYPGIACGPSGL-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.42
Rot. Bonds2

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

N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 113496081) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID113496081
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC1CCSC(NC2CCCS(=O)(=O)C2)=N1
InChIInChI=1S/C11H20N2O2S2/c1-2-9-5-6-16-11(12-9)13-10-4-3-7-17(14,15)8-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyJYRYPGIACGPSGL-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothian-3-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035492
N-(1,1-dioxothian-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65272954
3,5-dichloro-6-N-(1,1-dioxothian-3-yl)-2-N-ethylpyridine-2,6-diamine
CID 102758408
ethyl 2-[(1,1-dioxothian-3-yl)amino]pyridine-3-carboxylate
CID 63921994
N-(1,1-dioxothian-3-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79504359
4-N-(1,1-dioxothian-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80839228
2-N-(1,1-dioxothian-3-yl)-1,3-thiazole-2,5-diamine
CID 102768502
4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219331
N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 131091752
4-ethyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43610489
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 113496081) is N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC1CCSC(NC2CCCS(=O)(=O)C2)=N1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is JYRYPGIACGPSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-2-9-5-6-16-11(12-9)13-10-4-3-7-17(14,15)8-10/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 113496081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).