N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide

C15H26N4O3S — CID 124874738

IUPACN-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide
SMILESC[C@H](C#N)CN(C)S(=O)(=O)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C15H26N4O3S/c1-13(11-16)12-17(2)23(21,22)18-9-6-14(7-10-18)19-8-4-3-5-15(19)20/h13-14H,3-10,12H2,1-2H3/t13-/m1/s1
InChIKeyMKAYSDCLOBFFTL-CYBMUJFWSA-N
MW342.47 g/mol
LogP0.80
Rot. Bonds5

About N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide

N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide (PubChem CID 124874738) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide
PubChem CID124874738
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide
SMILESC[C@H](C#N)CN(C)S(=O)(=O)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C15H26N4O3S/c1-13(11-16)12-17(2)23(21,22)18-9-6-14(7-10-18)19-8-4-3-5-15(19)20/h13-14H,3-10,12H2,1-2H3/t13-/m1/s1
InChIKeyMKAYSDCLOBFFTL-CYBMUJFWSA-N
XLogP0.80
TPSA84.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide?
The IUPAC name of N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide (CID 124874738) is N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide is C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide?
The InChIKey is MKAYSDCLOBFFTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-13(11-16)12-17(2)23(21,22)18-9-6-14(7-10-18)19-8-4-3-5-15(19)20/h13-14H,3-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide?
N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 124874738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).