1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide

C11H21N3O2S — CID 107857517

IUPAC1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CC#N)CC(C)(C)N1
InChIInChI=1S/C11H21N3O2S/c1-10(2)7-9(8-11(3,4)14-10)13-17(15,16)6-5-12/h9,13-14H,6-8H2,1-4H3
InChIKeyXPZGUGYOANOZSC-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.74
Rot. Bonds3

About 1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide

1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide (PubChem CID 107857517) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide
PubChem CID107857517
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CC#N)CC(C)(C)N1
InChIInChI=1S/C11H21N3O2S/c1-10(2)7-9(8-11(3,4)14-10)13-17(15,16)6-5-12/h9,13-14H,6-8H2,1-4H3
InChIKeyXPZGUGYOANOZSC-UHFFFAOYSA-N
XLogP0.74
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)butane-1-sulfonamide
CID 91698470
N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfonamide
CID 17995529
N-(2,6-Diethyl-2,3,6-trimethylpiperidin-4-yl)methanesulfonamide
CID 20348234
N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide
CID 20670993
1-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide
CID 20671022
N-(2,2,6,6-tetramethylpiperidin-4-yl)dodecane-1-sulfonamide
CID 20789888
N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide
CID 64592336
1-ethylsulfonyl-N,3-dimethylpiperidin-4-amine
CID 67242779
2,2,6,6-Tetramethylpiperidine-4-sulfonamide
CID 69821695
(5R,7S)-7-methyl-2lambda6-thia-1,8-diazaspiro[4.5]decane 2,2-dioxide
CID 70171578
N-(2,2,6,6-tetramethylpiperidin-4-yl)hexadecane-1-sulfinamide
CID 121405366
N-(3,5-dimethylpiperidin-4-yl)propane-2-sulfonamide
CID 155136648

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of 1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide (CID 107857517) is 1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for 1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for 1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide is CC1(C)CC(NS(=O)(=O)CC#N)CC(C)(C)N1.
What is the InChIKey of 1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide?
The InChIKey is XPZGUGYOANOZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-10(2)7-9(8-11(3,4)14-10)13-17(15,16)6-5-12/h9,13-14H,6-8H2,1-4H3.
What are the key properties of 1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide?
1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide has a molecular weight of 259.37 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 107857517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).