N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide

C14H19N3O3S — CID 43369772

IUPACN-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccccc2OCC#N)CC1
InChIInChI=1S/C14H19N3O3S/c1-12-6-9-17(10-7-12)21(18,19)16-13-4-2-3-5-14(13)20-11-8-15/h2-5,12,16H,6-7,9-11H2,1H3
InChIKeyWHVDHAIEBUASQJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide

N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 43369772) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide
PubChem CID43369772
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccccc2OCC#N)CC1
InChIInChI=1S/C14H19N3O3S/c1-12-6-9-17(10-7-12)21(18,19)16-13-4-2-3-5-14(13)20-11-8-15/h2-5,12,16H,6-7,9-11H2,1H3
InChIKeyWHVDHAIEBUASQJ-UHFFFAOYSA-N
XLogP1.98
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-4-methylpiperidine-1-sulfonamide
CID 28785025
N-(2-chloro-4-cyanophenyl)-4-methylpiperidine-1-sulfonamide
CID 107808236
2-[(4-methylpiperidin-1-yl)sulfonylamino]benzenecarbothioamide
CID 28509217
2-[2-(cyclopentylamino)phenoxy]acetonitrile
CID 82932126
N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369684
4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369751
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526
N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414535
N-[2-(cyanomethoxy)phenyl]-3-phenylmethoxypropane-1-sulfonamide
CID 114286058
N-(3-amino-4-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 55147573
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide
CID 39978067
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide (CID 43369772) is N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2ccccc2OCC#N)CC1.
What is the InChIKey of N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is WHVDHAIEBUASQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-12-6-9-17(10-7-12)21(18,19)16-13-4-2-3-5-14(13)20-11-8-15/h2-5,12,16H,6-7,9-11H2,1H3.
What are the key properties of N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide?
N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethoxy)phenyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43369772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).