2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine

C12H24N2O2S — CID 79407140

IUPAC2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
SMILESCC1C(N)CCN(C2(C)CCS(=O)(=O)C2)C1C
InChIInChI=1S/C12H24N2O2S/c1-9-10(2)14(6-4-11(9)13)12(3)5-7-17(15,16)8-12/h9-11H,4-8,13H2,1-3H3
InChIKeyYXTNYMOMXVDYTO-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.62
Rot. Bonds1

About 2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine

2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine (PubChem CID 79407140) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
PubChem CID79407140
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
SMILESCC1C(N)CCN(C2(C)CCS(=O)(=O)C2)C1C
InChIInChI=1S/C12H24N2O2S/c1-9-10(2)14(6-4-11(9)13)12(3)5-7-17(15,16)8-12/h9-11H,4-8,13H2,1-3H3
InChIKeyYXTNYMOMXVDYTO-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine (CID 79407140) is 2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine is CC1C(N)CCN(C2(C)CCS(=O)(=O)C2)C1C.
What is the InChIKey of 2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
The InChIKey is YXTNYMOMXVDYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9-10(2)14(6-4-11(9)13)12(3)5-7-17(15,16)8-12/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine?
2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine has a molecular weight of 260.40 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 79407140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).