2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine

C6H14N2O2S — CID 56828150

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine
SMILESCNCCN1CCCS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-7-3-5-8-4-2-6-11(8,9)10/h7H,2-6H2,1H3
InChIKeyLGIOLHULYAJXHH-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.76
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine (PubChem CID 56828150) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine
PubChem CID56828150
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine
SMILESCNCCN1CCCS1(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-7-3-5-8-4-2-6-11(8,9)10/h7H,2-6H2,1H3
InChIKeyLGIOLHULYAJXHH-UHFFFAOYSA-N
XLogP-0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyrrolidine-1-sulfonyl)ethanamine hydrochloride
CID 45074879
Pyrrolidine-3-sulfonamide
CID 45792639
2-(2-Aminoethyl)-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 47002542
Pyrrolidine-3-sulfonamide hydrochloride
CID 155858501
2-(Pyrrolidin-1-ylsulfonyl)ethanamine
CID 1133629
N-(Pyrrolidin-3-yl)propane-1-sulfonamide
CID 43602878
2-(3-Aminopropyl)-1lambda6,2-thiazolidine-1,1-dione
CID 43619976
N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
CID 61546212
N-ethylpyrrolidine-3-sulfonamide
CID 65419394
3-(Aminomethyl)-2-methyl-1lambda6,2-thiazolidine-1,1-dione
CID 129982016
4-Amino-2,3,3-trimethyl-1lambda6,2-thiazolidine-1,1-dione
CID 137698869
(3S)-pyrrolidine-3-sulfonamidehydrochloride
CID 165653342

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine (CID 56828150) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine is CNCCN1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine?
The InChIKey is LGIOLHULYAJXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-7-3-5-8-4-2-6-11(8,9)10/h7H,2-6H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine has a molecular weight of 178.26 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylethanamine is sourced from PubChem (CID 56828150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).