N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide

C12H26N2O4S — CID 79547905

IUPACN-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
SMILESCCOC(CNS(=O)(=O)N1CCCCC1C)OCC
InChIInChI=1S/C12H26N2O4S/c1-4-17-12(18-5-2)10-13-19(15,16)14-9-7-6-8-11(14)3/h11-13H,4-10H2,1-3H3
InChIKeyNANJDRKFLTVIKE-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.09
Rot. Bonds8

About N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide

N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 79547905) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
PubChem CID79547905
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC NameN-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
SMILESCCOC(CNS(=O)(=O)N1CCCCC1C)OCC
InChIInChI=1S/C12H26N2O4S/c1-4-17-12(18-5-2)10-13-19(15,16)14-9-7-6-8-11(14)3/h11-13H,4-10H2,1-3H3
InChIKeyNANJDRKFLTVIKE-UHFFFAOYSA-N
XLogP1.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 62968211
1-(2,2-diethoxyethylsulfamoyl)piperidine-2-carboxylic acid
CID 79538538
N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
CID 49459657
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536
N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 81094325
N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide
CID 107322992
(2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide
CID 99831954
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide
CID 104593982
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415
N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661
N-(2,2-diethoxyethyl)morpholine-4-sulfonamide
CID 79548082

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide (CID 79547905) is N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide is CCOC(CNS(=O)(=O)N1CCCCC1C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is NANJDRKFLTVIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-4-17-12(18-5-2)10-13-19(15,16)14-9-7-6-8-11(14)3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide?
N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 79547905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).