1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine

C13H28N2O2S — CID 62624613

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine
SMILESCCNC(CCN1CCS(=O)(=O)CC1)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-5-14-12(13(2,3)4)6-7-15-8-10-18(16,17)11-9-15/h12,14H,5-11H2,1-4H3
InChIKeySDAJSEDFFFYZQI-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds5

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine

1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine (PubChem CID 62624613) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine
PubChem CID62624613
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine
SMILESCCNC(CCN1CCS(=O)(=O)CC1)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-5-14-12(13(2,3)4)6-7-15-8-10-18(16,17)11-9-15/h12,14H,5-11H2,1-4H3
InChIKeySDAJSEDFFFYZQI-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine (CID 62624613) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine is CCNC(CCN1CCS(=O)(=O)CC1)C(C)(C)C.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
The InChIKey is SDAJSEDFFFYZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-14-12(13(2,3)4)6-7-15-8-10-18(16,17)11-9-15/h12,14H,5-11H2,1-4H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 62624613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).