N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide

C15H27N5O3S — CID 55598183

IUPACN-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H27N5O3S/c1-17(7-5-6-16)24(22,23)20-12-10-18(11-13-20)14-15(21)19-8-3-2-4-9-19/h2-5,7-14H2,1H3
InChIKeyVIUSTIJREFMVGE-UHFFFAOYSA-N
MW357.48 g/mol
LogP-0.29
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide

N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide (PubChem CID 55598183) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide
PubChem CID55598183
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC NameN-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H27N5O3S/c1-17(7-5-6-16)24(22,23)20-12-10-18(11-13-20)14-15(21)19-8-3-2-4-9-19/h2-5,7-14H2,1H3
InChIKeyVIUSTIJREFMVGE-UHFFFAOYSA-N
XLogP-0.29
TPSA87.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide (CID 55598183) is N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide is CN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide?
The InChIKey is VIUSTIJREFMVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-17(7-5-6-16)24(22,23)20-12-10-18(11-13-20)14-15(21)19-8-3-2-4-9-19/h2-5,7-14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide?
N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide has a molecular weight of 357.48 g/mol, XLogP of -0.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 55598183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).