N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

C12H27N3O2S — CID 51359860

IUPACN'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCCCCN1CC(N(C)CCN(C)C)CS1(=O)=O
InChIInChI=1S/C12H27N3O2S/c1-5-6-7-15-10-12(11-18(15,16)17)14(4)9-8-13(2)3/h12H,5-11H2,1-4H3
InChIKeyRUXUEYYBDLFBBL-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.29
Rot. Bonds7

About N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 51359860) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID51359860
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCCCCN1CC(N(C)CCN(C)C)CS1(=O)=O
InChIInChI=1S/C12H27N3O2S/c1-5-6-7-15-10-12(11-18(15,16)17)14(4)9-8-13(2)3/h12H,5-11H2,1-4H3
InChIKeyRUXUEYYBDLFBBL-UHFFFAOYSA-N
XLogP0.29
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 51359860) is N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is CCCCN1CC(N(C)CCN(C)C)CS1(=O)=O.
What is the InChIKey of N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is RUXUEYYBDLFBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-5-6-7-15-10-12(11-18(15,16)17)14(4)9-8-13(2)3/h12H,5-11H2,1-4H3.
What are the key properties of N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 277.43 g/mol, XLogP of 0.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 51359860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).