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

C12H24N2O4S — CID 103340553

IUPAC4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H24N2O4S/c1-3-6-13(9-10-18-2)19(16,17)14-7-4-12(11-15)5-8-14/h3,12,15H,1,4-11H2,2H3
InChIKeyZSIRTMXYGMROIH-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.07
Rot. Bonds8

About 4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide

4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide (PubChem CID 103340553) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
PubChem CID103340553
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H24N2O4S/c1-3-6-13(9-10-18-2)19(16,17)14-7-4-12(11-15)5-8-14/h3,12,15H,1,4-11H2,2H3
InChIKeyZSIRTMXYGMROIH-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
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-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340728
2-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340573
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540
N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide
CID 115754648
3-(aminomethyl)-N,N-bis(2-methoxyethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119972257
2-hydroxy-N-(2-methoxyethyl)-N-prop-2-enylethanesulfonamide
CID 103339659
N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
CID 115754309
4-methylsulfonyl-N,N-bis(prop-2-enyl)piperazine-1-sulfonamide
CID 136512519
2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54969399
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
2-[2-methoxyethyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94798810

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide (CID 103340553) is 4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide is C=CCN(CCOC)S(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
The InChIKey is ZSIRTMXYGMROIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-6-13(9-10-18-2)19(16,17)14-7-4-12(11-15)5-8-14/h3,12,15H,1,4-11H2,2H3.
What are the key properties of 4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide is sourced from PubChem (CID 103340553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).