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

C10H22N2O4S — CID 62968211

IUPACN-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
SMILESCOC(CNS(=O)(=O)N1CCCCC1C)OC
InChIInChI=1S/C10H22N2O4S/c1-9-6-4-5-7-12(9)17(13,14)11-8-10(15-2)16-3/h9-11H,4-8H2,1-3H3
InChIKeyRLKWPDPYJZFXPZ-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.31
Rot. Bonds6

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

N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 62968211) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
PubChem CID62968211
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
SMILESCOC(CNS(=O)(=O)N1CCCCC1C)OC
InChIInChI=1S/C10H22N2O4S/c1-9-6-4-5-7-12(9)17(13,14)11-8-10(15-2)16-3/h9-11H,4-8H2,1-3H3
InChIKeyRLKWPDPYJZFXPZ-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
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-diethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 79547905
N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
CID 62966636
N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
CID 49459657
N-(5-bromopentyl)-2-methylpiperidine-1-sulfonamide
CID 107322992
N-[2-(2-methoxyethylamino)ethyl]-2-methylpiperidine-1-sulfonamide;hydrochloride
CID 120717614
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide
CID 104593982
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415
N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661
N-[(1-hydroxycyclopentyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 65113201
(2S)-N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrrolidine-1-sulfonamide
CID 99831954
N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 102701704

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide (CID 62968211) is N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide is COC(CNS(=O)(=O)N1CCCCC1C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is RLKWPDPYJZFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-9-6-4-5-7-12(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)-2-methylpiperidine-1-sulfonamide?
N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 266.36 g/mol, XLogP of 0.31, 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)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 62968211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).