(3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide

C15H28N4O3S — CID 95280133

IUPAC(3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)N(CCC#N)CCN2CCOCC2)C1
InChIInChI=1S/C15H28N4O3S/c1-15-4-2-6-19(14-15)23(20,21)18(7-3-5-16)9-8-17-10-12-22-13-11-17/h15H,2-4,6-14H2,1H3/t15-/m0/s1
InChIKeyTZQQWFKNDFZJBB-HNNXBMFYSA-N
MW344.48 g/mol
LogP0.51
Rot. Bonds7

About (3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide

(3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide (PubChem CID 95280133) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is (3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide
PubChem CID95280133
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC Name(3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)N(CCC#N)CCN2CCOCC2)C1
InChIInChI=1S/C15H28N4O3S/c1-15-4-2-6-19(14-15)23(20,21)18(7-3-5-16)9-8-17-10-12-22-13-11-17/h15H,2-4,6-14H2,1H3/t15-/m0/s1
InChIKeyTZQQWFKNDFZJBB-HNNXBMFYSA-N
XLogP0.51
TPSA76.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide?
The IUPAC name of (3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide (CID 95280133) is (3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide?
The canonical SMILES for (3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide is C[C@H]1CCCN(S(=O)(=O)N(CCC#N)CCN2CCOCC2)C1.
What is the InChIKey of (3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide?
The InChIKey is TZQQWFKNDFZJBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-15-4-2-6-19(14-15)23(20,21)18(7-3-5-16)9-8-17-10-12-22-13-11-17/h15H,2-4,6-14H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide?
(3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide has a molecular weight of 344.48 g/mol, XLogP of 0.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 95280133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).