1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine

C12H24N2O2S — CID 79407299

IUPAC1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine
SMILESCC1C(N)CCN(C2CCCS(=O)(=O)C2)C1C
InChIInChI=1S/C12H24N2O2S/c1-9-10(2)14(6-5-12(9)13)11-4-3-7-17(15,16)8-11/h9-12H,3-8,13H2,1-2H3
InChIKeyQRNJLUDRYXOQML-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.62
Rot. Bonds1

About 1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine

1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine (PubChem CID 79407299) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine
PubChem CID79407299
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine
SMILESCC1C(N)CCN(C2CCCS(=O)(=O)C2)C1C
InChIInChI=1S/C12H24N2O2S/c1-9-10(2)14(6-5-12(9)13)11-4-3-7-17(15,16)8-11/h9-12H,3-8,13H2,1-2H3
InChIKeyQRNJLUDRYXOQML-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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Related Compounds

1-cyclohexyl-2,3-dimethylpiperidin-4-amine
CID 79398517
2,3-dimethyl-1-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 79396539
1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine
CID 63923553
[1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine
CID 63923859
1-(1,1-dioxothian-3-yl)-3-methylpiperazin-2-one
CID 115101910
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
CID 39225830
1-(1,1-dioxothiolan-3-yl)piperidin-3-amine
CID 61297087
3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
CID 64938017
2,3-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 79407140
1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid
CID 114426723
3-(3,7-dimethyl-1,5-diazocan-1-yl)thiane 1,1-dioxide
CID 63924763
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dimethylpiperidin-4-amine
CID 79408013

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine (CID 79407299) is 1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine is CC1C(N)CCN(C2CCCS(=O)(=O)C2)C1C.
What is the InChIKey of 1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine?
The InChIKey is QRNJLUDRYXOQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9-10(2)14(6-5-12(9)13)11-4-3-7-17(15,16)8-11/h9-12H,3-8,13H2,1-2H3.
What are the key properties of 1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine?
1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-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 1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79407299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).