N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine

C13H31N3O2S — CID 91263165

IUPACN,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine
SMILESCCCN(C)C.CN(C)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S.C5H13N/c1-9(2)3-4-10-5-7-13(11,12)8-6-10;1-4-5-6(2)3/h3-8H2,1-2H3;4-5H2,1-3H3
InChIKeyAONAFTKJTUYYGM-UHFFFAOYSA-N
MW293.48 g/mol
LogP0.24
Rot. Bonds5

About N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine

N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine (PubChem CID 91263165) has the molecular formula C13H31N3O2S and a molecular weight of 293.48 g/mol. Its IUPAC name is N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound NameN,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine
PubChem CID91263165
Molecular FormulaC13H31N3O2S
Molecular Weight293.48 g/mol
Exact Mass293.21
IUPAC NameN,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine
SMILESCCCN(C)C.CN(C)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O2S.C5H13N/c1-9(2)3-4-10-5-7-13(11,12)8-6-10;1-4-5-6(2)3/h3-8H2,1-2H3;4-5H2,1-3H3
InChIKeyAONAFTKJTUYYGM-UHFFFAOYSA-N
XLogP0.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine?
The IUPAC name of N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine (CID 91263165) is N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine.
What is the SMILES notation for N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine?
The canonical SMILES for N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine is CCCN(C)C.CN(C)CCN1CCS(=O)(=O)CC1.
What is the InChIKey of N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine?
The InChIKey is AONAFTKJTUYYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.C5H13N/c1-9(2)3-4-10-5-7-13(11,12)8-6-10;1-4-5-6(2)3/h3-8H2,1-2H3;4-5H2,1-3H3.
What are the key properties of N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine?
N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine has a molecular weight of 293.48 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-1-amine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 91263165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).