N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide

C10H22N2O4S — CID 62966636

IUPACN-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
SMILESCOC(CNS(=O)(=O)N1CCC(C)CC1)OC
InChIInChI=1S/C10H22N2O4S/c1-9-4-6-12(7-5-9)17(13,14)11-8-10(15-2)16-3/h9-11H,4-8H2,1-3H3
InChIKeyDCECUPQHABAJCF-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.17
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide

N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 62966636) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
PubChem CID62966636
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
SMILESCOC(CNS(=O)(=O)N1CCC(C)CC1)OC
InChIInChI=1S/C10H22N2O4S/c1-9-4-6-12(7-5-9)17(13,14)11-8-10(15-2)16-3/h9-11H,4-8H2,1-3H3
InChIKeyDCECUPQHABAJCF-UHFFFAOYSA-N
XLogP0.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.17
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

3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 103153472
N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 62968211
3-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066819
4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
CID 60728428
N-(6-iodohexyl)-4-methylpiperidine-1-sulfonamide
CID 114008773
N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride
CID 119976296
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900
2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633
N-(2-chloroprop-2-enyl)-4-methylpiperidine-1-sulfonamide
CID 115638619
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
N-(5-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-sulfonamide
CID 103896620

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide (CID 62966636) is N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide is COC(CNS(=O)(=O)N1CCC(C)CC1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is DCECUPQHABAJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-9-4-6-12(7-5-9)17(13,14)11-8-10(15-2)16-3/h9-11H,4-8H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide?
N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 266.36 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 62966636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).