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

C7H12N2O2S2 — CID 131091752

IUPACN-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESO=S1(=O)CC(NC2=NCCCS2)C1
InChIInChI=1S/C7H12N2O2S2/c10-13(11)4-6(5-13)9-7-8-2-1-3-12-7/h6H,1-5H2,(H,8,9)
InChIKeyMSBMKNSZRQNQKS-UHFFFAOYSA-N
MW220.32 g/mol
LogP-0.13
Rot. Bonds1

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

N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 131091752) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID131091752
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC NameN-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESO=S1(=O)CC(NC2=NCCCS2)C1
InChIInChI=1S/C7H12N2O2S2/c10-13(11)4-6(5-13)9-7-8-2-1-3-12-7/h6H,1-5H2,(H,8,9)
InChIKeyMSBMKNSZRQNQKS-UHFFFAOYSA-N
XLogP-0.13
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothietan-3-yl)-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-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43615514
N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43373637
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-piperidin-4-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 115016981
N-(1,1-dioxothian-3-yl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113496081
5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine
CID 130921490
N-(1,1-dioxothian-3-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79504359
N-[2-(1-methylpiperidin-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114516295
N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 14391638
4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 17338742

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 131091752) is N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is O=S1(=O)CC(NC2=NCCCS2)C1.
What is the InChIKey of N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MSBMKNSZRQNQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c10-13(11)4-6(5-13)9-7-8-2-1-3-12-7/h6H,1-5H2,(H,8,9).
What are the key properties of N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 220.32 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 131091752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).