4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine

C8H14N4O2S2 — CID 62182946

IUPAC4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14N4O2S2/c1-9-8-7(10-11-15-8)6-12-2-4-16(13,14)5-3-12/h9H,2-6H2,1H3
InChIKeyFUQOCWFYFNDESJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP-0.19
Rot. Bonds3

About 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine

4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine (PubChem CID 62182946) has the molecular formula C8H14N4O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine
PubChem CID62182946
Molecular FormulaC8H14N4O2S2
Molecular Weight262.36 g/mol
Exact Mass262.06
IUPAC Name4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H14N4O2S2/c1-9-8-7(10-11-15-8)6-12-2-4-16(13,14)5-3-12/h9H,2-6H2,1H3
InChIKeyFUQOCWFYFNDESJ-UHFFFAOYSA-N
XLogP-0.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine
CID 55045006
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 55046458
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine
CID 55046744
N-ethyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62176296
N-propyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62176297
N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62178560
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-methylthiadiazol-5-amine
CID 62182078
N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
CID 62182140
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62182251
4-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
CID 62182410
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-ethylthiadiazol-5-amine
CID 62182947
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
CID 62183003

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine (CID 62182946) is 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is FUQOCWFYFNDESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S2/c1-9-8-7(10-11-15-8)6-12-2-4-16(13,14)5-3-12/h9H,2-6H2,1H3.
What are the key properties of 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine?
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 262.36 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62182946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).