N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine

C8H19N3O2S — CID 117026603

IUPACN,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine
SMILESCN(C)CCN1CCCN(C)S1(=O)=O
InChIInChI=1S/C8H19N3O2S/c1-9(2)7-8-11-6-4-5-10(3)14(11,12)13/h4-8H2,1-3H3
InChIKeyUMDZGXXKAJNLHZ-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.57
Rot. Bonds3

About N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine

N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine (PubChem CID 117026603) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine
PubChem CID117026603
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine
SMILESCN(C)CCN1CCCN(C)S1(=O)=O
InChIInChI=1S/C8H19N3O2S/c1-9(2)7-8-11-6-4-5-10(3)14(11,12)13/h4-8H2,1-3H3
InChIKeyUMDZGXXKAJNLHZ-UHFFFAOYSA-N
XLogP-0.57
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxo-1,2,6-thiadiazocan-2-yl)-N,N-dimethylethanamine
CID 117015150
2,7-dimethyl-1,2,7-thiadiazepane 1,1-dioxide
CID 59417812
2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)acetaldehyde
CID 84767622
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 144721860
2-cyclopentyl-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026527
2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)propanoic acid
CID 84788623
N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)formamide
CID 64992864
1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde
CID 102567892
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62232103
1-[2-(dimethylamino)ethyl]-4,7,7-trimethyl-1,4-diazepan-2-one
CID 139401205

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine (CID 117026603) is N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine is CN(C)CCN1CCCN(C)S1(=O)=O.
What is the InChIKey of N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine?
The InChIKey is UMDZGXXKAJNLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-9(2)7-8-11-6-4-5-10(3)14(11,12)13/h4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine?
N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine has a molecular weight of 221.33 g/mol, XLogP of -0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethanamine is sourced from PubChem (CID 117026603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).