(2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide

C15H28N4O3S — CID 124874935

IUPAC(2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide
SMILESC[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C15H28N4O3S/c1-14(11-16)12-17(2)23(20,21)19-6-4-3-5-15(19)13-18-7-9-22-10-8-18/h14-15H,3-10,12-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyCNBXGZQONSNCHF-LSDHHAIUSA-N
MW344.48 g/mol
LogP0.51
Rot. Bonds6

About (2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide

(2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide (PubChem CID 124874935) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide
PubChem CID124874935
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC Name(2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide
SMILESC[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C15H28N4O3S/c1-14(11-16)12-17(2)23(20,21)19-6-4-3-5-15(19)13-18-7-9-22-10-8-18/h14-15H,3-10,12-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyCNBXGZQONSNCHF-LSDHHAIUSA-N
XLogP0.51
TPSA76.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069755
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
CID 79314144
N-[(2S)-2-cyanopropyl]-N-methyl-4-(2-oxopiperidin-1-yl)piperidine-1-sulfonamide
CID 124874738
4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine
CID 70758711
(2S)-2-methyl-3-morpholin-4-ylpropanenitrile
CID 39161429
4-[(2R)-2-ethylpiperidin-1-yl]sulfonylmorpholine
CID 94018182
2-methyl-3-(methylamino)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875378
N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide
CID 83045047
N-(2-cyanoethyl)-N-methyl-4-(morpholin-4-ylmethyl)piperidine-1-sulfonamide
CID 55913503
2-(aminomethyl)-N-methyl-N-(oxolan-3-yl)piperidine-1-sulfonamide
CID 82745526
3-amino-2-methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503674
3-amino-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119875389

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of (2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide (CID 124874935) is (2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for (2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for (2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide is C[C@@H](C#N)CN(C)S(=O)(=O)N1CCCC[C@@H]1CN1CCOCC1.
What is the InChIKey of (2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is CNBXGZQONSNCHF-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-14(11-16)12-17(2)23(20,21)19-6-4-3-5-15(19)13-18-7-9-22-10-8-18/h14-15H,3-10,12-13H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide?
(2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 344.48 g/mol, XLogP of 0.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 124874935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).