N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide

C11H20N2O3S — CID 43648730

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-13(10-4-6-17(15,16)8-10)11(14)9-3-2-5-12-7-9/h9-10,12H,2-8H2,1H3
InChIKeyAOMKQRXXVDCKSX-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.37
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 43648730) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide
PubChem CID43648730
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCNC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-13(10-4-6-17(15,16)8-10)11(14)9-3-2-5-12-7-9/h9-10,12H,2-8H2,1H3
InChIKeyAOMKQRXXVDCKSX-UHFFFAOYSA-N
XLogP-0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.37
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-methylpiperidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide (CID 43648730) is N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide is CN(C(=O)C1CCCNC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is AOMKQRXXVDCKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-13(10-4-6-17(15,16)8-10)11(14)9-3-2-5-12-7-9/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.37, 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-methylpiperidine-3-carboxamide is sourced from PubChem (CID 43648730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).