2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine

C13H26N2O3S — CID 80521218

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
SMILESCN(CCC1CS(=O)(=O)CCN1)CC1CCCOC1
InChIInChI=1S/C13H26N2O3S/c1-15(9-12-3-2-7-18-10-12)6-4-13-11-19(16,17)8-5-14-13/h12-14H,2-11H2,1H3
InChIKeyYWKPBNACWSWHDC-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.12
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 80521218) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
PubChem CID80521218
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
SMILESCN(CCC1CS(=O)(=O)CCN1)CC1CCCOC1
InChIInChI=1S/C13H26N2O3S/c1-15(9-12-3-2-7-18-10-12)6-4-13-11-19(16,17)8-5-14-13/h12-14H,2-11H2,1H3
InChIKeyYWKPBNACWSWHDC-UHFFFAOYSA-N
XLogP0.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55225873
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(oxan-3-yl)ethanone
CID 107138448
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(oxan-3-ylmethyl)acetamide
CID 80520256
N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine
CID 80521755
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 80520145
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80522098
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
CID 55226445
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine (CID 80521218) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine is CN(CCC1CS(=O)(=O)CCN1)CC1CCCOC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is YWKPBNACWSWHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-15(9-12-3-2-7-18-10-12)6-4-13-11-19(16,17)8-5-14-13/h12-14H,2-11H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 80521218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).