2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide

C12H24N2O4S — CID 103340573

IUPAC2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C12H24N2O4S/c1-3-7-13(9-10-18-2)19(16,17)14-8-5-4-6-12(14)11-15/h3,12,15H,1,4-11H2,2H3
InChIKeyVJQXXTSWAPAOBT-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.21
Rot. Bonds8

About 2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide

2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide (PubChem CID 103340573) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
PubChem CID103340573
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C12H24N2O4S/c1-3-7-13(9-10-18-2)19(16,17)14-8-5-4-6-12(14)11-15/h3,12,15H,1,4-11H2,2H3
InChIKeyVJQXXTSWAPAOBT-UHFFFAOYSA-N
XLogP0.21
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340553
4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340728
1-[bis(prop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857764
(2R)-2-(3-methoxypropyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 164640382
N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide
CID 115754648
2-hydroxy-N-(2-methoxyethyl)-N-prop-2-enylethanesulfonamide
CID 103339659
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652
N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
CID 115754309
ethyl 2-[(2-methylpiperidin-1-yl)sulfonyl-prop-2-enylamino]acetate
CID 78977663
N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide
CID 116634407
methyl 2-[1-(diethylsulfamoyl)piperidin-2-yl]acetate
CID 54899577
N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 61408756

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide (CID 103340573) is 2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide is C=CCN(CCOC)S(=O)(=O)N1CCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
The InChIKey is VJQXXTSWAPAOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-7-13(9-10-18-2)19(16,17)14-8-5-4-6-12(14)11-15/h3,12,15H,1,4-11H2,2H3.
What are the key properties of 2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide is sourced from PubChem (CID 103340573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).