N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide

C12H22N2O3S — CID 43648894

IUPACN-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide
SMILESCC1CCCC(C(=O)N(C)C2CCS(=O)(=O)C2)N1
InChIInChI=1S/C12H22N2O3S/c1-9-4-3-5-11(13-9)12(15)14(2)10-6-7-18(16,17)8-10/h9-11,13H,3-8H2,1-2H3
InChIKeyXTRZXFVPIPVOFE-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.16
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide (PubChem CID 43648894) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide
PubChem CID43648894
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide
SMILESCC1CCCC(C(=O)N(C)C2CCS(=O)(=O)C2)N1
InChIInChI=1S/C12H22N2O3S/c1-9-4-3-5-11(13-9)12(15)14(2)10-6-7-18(16,17)8-10/h9-11,13H,3-8H2,1-2H3
InChIKeyXTRZXFVPIPVOFE-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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide (CID 43648894) is N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide is CC1CCCC(C(=O)N(C)C2CCS(=O)(=O)C2)N1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide?
The InChIKey is XTRZXFVPIPVOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9-4-3-5-11(13-9)12(15)14(2)10-6-7-18(16,17)8-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide 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 N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 43648894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).