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

C12H24N2O2S — CID 63922163

IUPAC1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(C2CCCS(=O)(=O)C2)CC1C
InChIInChI=1S/C12H24N2O2S/c1-10-8-14(6-5-12(10)13-2)11-4-3-7-17(15,16)9-11/h10-13H,3-9H2,1-2H3
InChIKeyIOCHHSXVYYEVED-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.49
Rot. Bonds2

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

1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine (PubChem CID 63922163) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine
PubChem CID63922163
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(C2CCCS(=O)(=O)C2)CC1C
InChIInChI=1S/C12H24N2O2S/c1-10-8-14(6-5-12(10)13-2)11-4-3-7-17(15,16)9-11/h10-13H,3-9H2,1-2H3
InChIKeyIOCHHSXVYYEVED-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
3-(6-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 63922407
3-(3,7-dimethyl-1,5-diazocan-1-yl)thiane 1,1-dioxide
CID 63924763
1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine
CID 63923553
1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine
CID 43315216
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
CID 39225830
1-(1,1-dioxothiolan-3-yl)piperidin-3-amine
CID 61297087
(3S)-1-(1,1-dioxothiolan-3-yl)piperidin-3-ol
CID 107226058
N,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 114449186
1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 117008143
1-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552789
N-[[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]methyl]propan-2-amine
CID 63848761

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine (CID 63922163) is 1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine is CNC1CCN(C2CCCS(=O)(=O)C2)CC1C.
What is the InChIKey of 1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine?
The InChIKey is IOCHHSXVYYEVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10-8-14(6-5-12(10)13-2)11-4-3-7-17(15,16)9-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine?
1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine has a molecular weight of 260.40 g/mol, XLogP of 0.49, 2 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)-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 63922163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).