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

C12H24N2O2S — CID 63923553

IUPAC1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(C2CCCS(=O)(=O)C2)C(C)C1
InChIInChI=1S/C12H24N2O2S/c1-10-8-11(13-2)5-6-14(10)12-4-3-7-17(15,16)9-12/h10-13H,3-9H2,1-2H3
InChIKeyROFBWWGDPJYHCO-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds2

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

1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine (PubChem CID 63923553) 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,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine
PubChem CID63923553
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(C2CCCS(=O)(=O)C2)C(C)C1
InChIInChI=1S/C12H24N2O2S/c1-10-8-11(13-2)5-6-14(10)12-4-3-7-17(15,16)9-12/h10-13H,3-9H2,1-2H3
InChIKeyROFBWWGDPJYHCO-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine
CID 79407299
1-(1-ethylpiperidin-3-yl)-N,2-dimethylpiperidin-4-amine
CID 54976539
1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
1-(1,1-dioxothian-3-yl)-N,3-dimethylpiperidin-4-amine
CID 63922163
1-(1,1-dioxothiolan-3-yl)-4-methylpiperidine-2-carboxylic acid
CID 114426723
1-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-methylpyrrolidin-3-amine
CID 115707651
1-(1,1-dioxothian-3-yl)-3-methylpiperazin-2-one
CID 115101910
[1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine
CID 63923859
(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017
3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
CID 64938017
3-(3,7-dimethyl-1,5-diazocan-1-yl)thiane 1,1-dioxide
CID 63924763

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine?
The IUPAC name of 1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine (CID 63923553) is 1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine is CNC1CCN(C2CCCS(=O)(=O)C2)C(C)C1.
What is the InChIKey of 1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine?
The InChIKey is ROFBWWGDPJYHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10-8-11(13-2)5-6-14(10)12-4-3-7-17(15,16)9-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine?
1-(1,1-dioxothian-3-yl)-N,2-dimethylpiperidin-4-amine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 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,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 63923553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).