3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one

C9H18N2O3S — CID 119337414

IUPAC3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCC1(C)CN(C(=O)CCN)CCS1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-9(2)7-11(8(12)3-4-10)5-6-15(9,13)14/h3-7,10H2,1-2H3
InChIKeyFVPTZEITVIOFDP-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.63
Rot. Bonds2

About 3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one

3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one (PubChem CID 119337414) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
PubChem CID119337414
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
SMILESCC1(C)CN(C(=O)CCN)CCS1(=O)=O
InChIInChI=1S/C9H18N2O3S/c1-9(2)7-11(8(12)3-4-10)5-6-15(9,13)14/h3-7,10H2,1-2H3
InChIKeyFVPTZEITVIOFDP-UHFFFAOYSA-N
XLogP-0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one (CID 119337414) is 3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one is CC1(C)CN(C(=O)CCN)CCS1(=O)=O.
What is the InChIKey of 3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
The InChIKey is FVPTZEITVIOFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-9(2)7-11(8(12)3-4-10)5-6-15(9,13)14/h3-7,10H2,1-2H3.
What are the key properties of 3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one?
3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one has a molecular weight of 234.32 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one is sourced from PubChem (CID 119337414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).