N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide

C13H24N2O3S — CID 55210098

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide
SMILESCN(C(=O)CCC1CCCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O3S/c1-15(12-7-9-19(17,18)10-12)13(16)6-5-11-4-2-3-8-14-11/h11-12,14H,2-10H2,1H3
InChIKeyBTZMDMBMHRCIOA-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.55
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide (PubChem CID 55210098) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide
PubChem CID55210098
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide
SMILESCN(C(=O)CCC1CCCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O3S/c1-15(12-7-9-19(17,18)10-12)13(16)6-5-11-4-2-3-8-14-11/h11-12,14H,2-10H2,1H3
InChIKeyBTZMDMBMHRCIOA-UHFFFAOYSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.55
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-methyl-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide (CID 55210098) is N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide is CN(C(=O)CCC1CCCCN1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide?
The InChIKey is BTZMDMBMHRCIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-15(12-7-9-19(17,18)10-12)13(16)6-5-11-4-2-3-8-14-11/h11-12,14H,2-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-piperidin-2-ylpropanamide has a molecular weight of 288.41 g/mol, XLogP of 0.55, 4 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-methyl-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 55210098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).