(1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

C13H24N2O3S — CID 104520828

IUPAC(1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)C2CCCCS2(=O)=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-13(14-2)6-8-15(9-7-13)12(16)11-5-3-4-10-19(11,17)18/h11,14H,3-10H2,1-2H3
InChIKeyDLWWYPSIWZJFHI-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.55
Rot. Bonds2

About (1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

(1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 104520828) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is (1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID104520828
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name(1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)C2CCCCS2(=O)=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-13(14-2)6-8-15(9-7-13)12(16)11-5-3-4-10-19(11,17)18/h11,14H,3-10H2,1-2H3
InChIKeyDLWWYPSIWZJFHI-UHFFFAOYSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxothian-2-yl)-piperidin-1-ylmethanone
CID 104520379
1-(1,1-dioxothiane-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 104517586
6-bicyclo[3.1.0]hexanyl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304314
[4-methyl-4-(methylamino)piperidin-1-yl]-(oxan-2-yl)methanone
CID 113282965
1,4-diazepan-1-yl-(1,1-dioxothian-2-yl)methanone
CID 113421775
1-(1,1-dioxothiane-2-carbonyl)piperidine-4-carbonitrile
CID 113422070
2-cyclopentyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304327
(1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224949
(1,1-dioxothian-2-yl)-(3-methylpiperazin-1-yl)methanone
CID 104517859
[4-(2-bromoethyl)piperazin-1-yl]-(1,1-dioxothian-2-yl)methanone
CID 113422485
2-cyclobutyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103165081
(1,1-dioxothian-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 104520841

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 104520828) is (1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1(C)CCN(C(=O)C2CCCCS2(=O)=O)CC1.
What is the InChIKey of (1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is DLWWYPSIWZJFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-13(14-2)6-8-15(9-7-13)12(16)11-5-3-4-10-19(11,17)18/h11,14H,3-10H2,1-2H3.
What are the key properties of (1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
(1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 288.41 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 104520828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).