3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide

C12H22N2O3S — CID 63130167

IUPAC3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
SMILESCC1(NC(=O)C2(C)CCCNC2)CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O3S/c1-11(4-3-6-13-8-11)10(15)14-12(2)5-7-18(16,17)9-12/h13H,3-9H2,1-2H3,(H,14,15)
InChIKeyOEJBUOXXVSIFQN-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.07
Rot. Bonds2

About 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide

3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide (PubChem CID 63130167) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
PubChem CID63130167
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
SMILESCC1(NC(=O)C2(C)CCCNC2)CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O3S/c1-11(4-3-6-13-8-11)10(15)14-12(2)5-7-18(16,17)9-12/h13H,3-9H2,1-2H3,(H,14,15)
InChIKeyOEJBUOXXVSIFQN-UHFFFAOYSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 63139454
3-methylpiperidine-3-carbohydrazide
CID 63991806
(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369661
(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369662
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 146124342
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
[(3R)-3-methyl-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 7058895
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-sulfanylpropanamide
CID 107027169

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide (CID 63130167) is 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide is CC1(NC(=O)C2(C)CCCNC2)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
The InChIKey is OEJBUOXXVSIFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-11(4-3-6-13-8-11)10(15)14-12(2)5-7-18(16,17)9-12/h13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide?
3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 63130167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).