1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone

C12H22N2O3S — CID 43780093

IUPAC1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2(C)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H22N2O3S/c1-10(15)14-6-3-11(4-7-14)13-12(2)5-8-18(16,17)9-12/h11,13H,3-9H2,1-2H3
InChIKeyYFSCXZLSXSGTFQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.16
Rot. Bonds2

About 1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone

1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone (PubChem CID 43780093) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone
PubChem CID43780093
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2(C)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H22N2O3S/c1-10(15)14-6-3-11(4-7-14)13-12(2)5-8-18(16,17)9-12/h11,13H,3-9H2,1-2H3
InChIKeyYFSCXZLSXSGTFQ-UHFFFAOYSA-N
XLogP0.16
TPSA66.48 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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-ethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidin-4-amine
CID 43679758
N-cyclohexyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679840
N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679751
4-N-(3-methyl-1,1-dioxothiolan-3-yl)cyclohexane-1,4-diamine
CID 79724714
N-(3-methyl-1,1-dioxothiolan-3-yl)oxepan-4-amine
CID 65081523
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
3-methyl-N-(5-methylthiolan-3-yl)-1,1-dioxothiolan-3-amine
CID 79941618
1-cyclopentyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
CID 113257455
3-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,1-dioxothiolan-3-amine
CID 107428106
N-(2,3-dimethylcyclohexyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 64762994
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-sulfanylpropanamide
CID 107027169
N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679928

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone (CID 43780093) is 1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2(C)CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is YFSCXZLSXSGTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10(15)14-6-3-11(4-7-14)13-12(2)5-8-18(16,17)9-12/h11,13H,3-9H2,1-2H3.
What are the key properties of 1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 274.39 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43780093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).