N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide

C15H21N3O2S — CID 29032011

IUPACN-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CCC#N)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O2S/c1-14-8-12-17(13-9-14)21(19,20)18(11-5-10-16)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-9,11-13H2,1H3
InChIKeyFENBJEODGBWGDZ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.38
Rot. Bonds5

About N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide

N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide (PubChem CID 29032011) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide
PubChem CID29032011
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CCC#N)c2ccccc2)CC1
InChIInChI=1S/C15H21N3O2S/c1-14-8-12-17(13-9-14)21(19,20)18(11-5-10-16)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-9,11-13H2,1H3
InChIKeyFENBJEODGBWGDZ-UHFFFAOYSA-N
XLogP2.38
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 79159548
N-(4-aminophenyl)-4-methyl-N-propylpiperidine-1-sulfonamide
CID 63233770
N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide
CID 35430981
N-(2-hydroxyethyl)-N-phenylpiperidine-1-sulfonamide
CID 111462838
N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
CID 61013841
3-(N-pyrrolidin-1-ylsulfonylanilino)propanoic acid
CID 60829650
N-(2-cyanoethyl)-4-iodo-N-phenylbenzenesulfonamide
CID 3721933
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide
CID 4987406
4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide
CID 35431424
N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide
CID 79593944
N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide
CID 43369772

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide (CID 29032011) is N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(CCC#N)c2ccccc2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide?
The InChIKey is FENBJEODGBWGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-14-8-12-17(13-9-14)21(19,20)18(11-5-10-16)15-6-3-2-4-7-15/h2-4,6-7,14H,5,8-9,11-13H2,1H3.
What are the key properties of N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide?
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-sulfonamide is sourced from PubChem (CID 29032011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).