N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine

C6H15N3O2S — CID 82512252

IUPACN-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine
SMILESCNCCN1CCN(C)S1(=O)=O
InChIInChI=1S/C6H15N3O2S/c1-7-3-4-9-6-5-8(2)12(9,10)11/h7H,3-6H2,1-2H3
InChIKeyPZORCZIQMPWNRK-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.30
Rot. Bonds3

About N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine

N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine (PubChem CID 82512252) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine
PubChem CID82512252
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC NameN-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine
SMILESCNCCN1CCN(C)S1(=O)=O
InChIInChI=1S/C6H15N3O2S/c1-7-3-4-9-6-5-8(2)12(9,10)11/h7H,3-6H2,1-2H3
InChIKeyPZORCZIQMPWNRK-UHFFFAOYSA-N
XLogP-1.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,5-Thiadiazolidine, 2-ethyl-, 1,1-dioxide
CID 10419354
2-Isopropyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10397135
2-(2-Aminoethyl)-1lambda6,2,5-thiadiazolidine-1,1-dione
CID 68282469
2-Methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 10393280
2-[1,1-dioxo-5-(2,2,2-trifluoroethyl)-1,2,5-thiadiazolidin-2-yl]-N-methylethanamine
CID 84806756
2-Butyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 11412706
2-(tert-Butyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 12412514
1-(Ethylamino)-2-(sulfinatoamino)ethane
CID 57069415
1-[Ethyl(sulfinato)amino]-2-(methylamino)ethane
CID 57199942
2-(2-Aminoethyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 57697904
2-(2-Methylpropyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 58799874
2-(Ethylamino)ethylsulfamic acid
CID 58800976

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine (CID 82512252) is N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine is CNCCN1CCN(C)S1(=O)=O.
What is the InChIKey of N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine?
The InChIKey is PZORCZIQMPWNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-7-3-4-9-6-5-8(2)12(9,10)11/h7H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine?
N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine has a molecular weight of 193.27 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethanamine is sourced from PubChem (CID 82512252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).