[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone

C12H22N2O3S — CID 107159946

IUPAC[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
SMILESCC1(CN)CCN(C(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H22N2O3S/c1-12(9-13)3-5-14(6-4-12)11(15)10-2-7-18(16,17)8-10/h10H,2-9,13H2,1H3
InChIKeyUWKFYUIZOWQIQM-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.01
Rot. Bonds2

About [4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone (PubChem CID 107159946) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
PubChem CID107159946
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
SMILESCC1(CN)CCN(C(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H22N2O3S/c1-12(9-13)3-5-14(6-4-12)11(15)10-2-7-18(16,17)8-10/h10H,2-9,13H2,1H3
InChIKeyUWKFYUIZOWQIQM-UHFFFAOYSA-N
XLogP0.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone with MolForge

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Related Compounds

aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone
CID 107159918
1-(1,1-dioxothiolane-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146844
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
CID 114226111
1-(1,1-dioxothiolane-3-carbonyl)piperidine-4-carbonitrile
CID 49063506
(2,2-dimethylpyrrolidin-1-yl)-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 100671287
[(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125003549
(1,1-dioxothiolan-3-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 155983604
1-[4-(1,1-dioxothiane-4-carbonyl)piperazin-1-yl]ethanone
CID 110850378
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852
3-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62216122

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone (CID 107159946) is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone is CC1(CN)CCN(C(=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The InChIKey is UWKFYUIZOWQIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-12(9-13)3-5-14(6-4-12)11(15)10-2-7-18(16,17)8-10/h10H,2-9,13H2,1H3.
What are the key properties of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(1,1-dioxothiolan-3-yl)methanone is sourced from PubChem (CID 107159946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).