3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine

C14H28N2O3S — CID 102884187

IUPAC3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCS(=O)(=O)CC2C)C1(C)C
InChIInChI=1S/C14H28N2O3S/c1-5-19-12-8-14(15,13(12,3)4)10-16-6-7-20(17,18)9-11(16)2/h11-12H,5-10,15H2,1-4H3
InChIKeyHXBMPEBTGDOOAC-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.64
Rot. Bonds4

About 3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine (PubChem CID 102884187) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine
PubChem CID102884187
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(N)(CN2CCS(=O)(=O)CC2C)C1(C)C
InChIInChI=1S/C14H28N2O3S/c1-5-19-12-8-14(15,13(12,3)4)10-16-6-7-20(17,18)9-11(16)2/h11-12H,5-10,15H2,1-4H3
InChIKeyHXBMPEBTGDOOAC-UHFFFAOYSA-N
XLogP0.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine (CID 102884187) is 3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine is CCOC1CC(N)(CN2CCS(=O)(=O)CC2C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is HXBMPEBTGDOOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-5-19-12-8-14(15,13(12,3)4)10-16-6-7-20(17,18)9-11(16)2/h11-12H,5-10,15H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 102884187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).