4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine

C6H14N2O2S — CID 170338878

IUPAC4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine
SMILESCCN1CCS(=O)(=O)CC1N
InChIInChI=1S/C6H14N2O2S/c1-2-8-3-4-11(9,10)5-6(8)7/h6H,2-5,7H2,1H3
InChIKeyMJNTWZICILGNQR-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.98
Rot. Bonds1

About 4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine

4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine (PubChem CID 170338878) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine.

Molecular Properties

Compound Name4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine
PubChem CID170338878
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine
SMILESCCN1CCS(=O)(=O)CC1N
InChIInChI=1S/C6H14N2O2S/c1-2-8-3-4-11(9,10)5-6(8)7/h6H,2-5,7H2,1H3
InChIKeyMJNTWZICILGNQR-UHFFFAOYSA-N
XLogP-0.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
CID 102884145
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
CID 102884252
3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
CID 103684411
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 102884121
4-tert-butyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 102886488
[2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentyl]methanamine
CID 102884225
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentane-1-thiol
CID 102887575
2-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102882706
ethyl 2-(methylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 102886224

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine?
The IUPAC name of 4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine (CID 170338878) is 4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine.
What is the SMILES notation for 4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine?
The canonical SMILES for 4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine is CCN1CCS(=O)(=O)CC1N.
What is the InChIKey of 4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine?
The InChIKey is MJNTWZICILGNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-2-8-3-4-11(9,10)5-6(8)7/h6H,2-5,7H2,1H3.
What are the key properties of 4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine?
4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine has a molecular weight of 178.26 g/mol, XLogP of -0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1-dioxo-1,4-thiazinan-3-amine is sourced from PubChem (CID 170338878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).