1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine

C12H25N3O2S — CID 166258899

IUPAC1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine
SMILESCC1CN(CCN2CCCS2(=O)=O)CC(C)C1N
InChIInChI=1S/C12H25N3O2S/c1-10-8-14(9-11(2)12(10)13)5-6-15-4-3-7-18(15,16)17/h10-12H,3-9,13H2,1-2H3
InChIKeyYACGGRNFJGFEJY-UHFFFAOYSA-N
MW275.42 g/mol
LogP-0.06
Rot. Bonds3

About 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine

1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine (PubChem CID 166258899) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine
PubChem CID166258899
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine
SMILESCC1CN(CCN2CCCS2(=O)=O)CC(C)C1N
InChIInChI=1S/C12H25N3O2S/c1-10-8-14(9-11(2)12(10)13)5-6-15-4-3-7-18(15,16)17/h10-12H,3-9,13H2,1-2H3
InChIKeyYACGGRNFJGFEJY-UHFFFAOYSA-N
XLogP-0.06
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine (CID 166258899) is 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine is CC1CN(CCN2CCCS2(=O)=O)CC(C)C1N.
What is the InChIKey of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine?
The InChIKey is YACGGRNFJGFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10-8-14(9-11(2)12(10)13)5-6-15-4-3-7-18(15,16)17/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine?
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine has a molecular weight of 275.42 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3,5-dimethylpiperidin-4-amine is sourced from PubChem (CID 166258899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).