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

C12H25N3O3S — CID 103340728

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C12H25N3O3S/c1-3-6-14(9-10-18-2)19(16,17)15-7-4-12(11-13)5-8-15/h3,12H,1,4-11,13H2,2H3
InChIKeyHYZRAQXTOOLJSS-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.04
Rot. Bonds8

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

4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide (PubChem CID 103340728) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
PubChem CID103340728
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C12H25N3O3S/c1-3-6-14(9-10-18-2)19(16,17)15-7-4-12(11-13)5-8-15/h3,12H,1,4-11,13H2,2H3
InChIKeyHYZRAQXTOOLJSS-UHFFFAOYSA-N
XLogP0.04
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.04
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

N-(2-methoxyethyl)-4-methylpiperidine-1-sulfonamide
CID 47022487
4-[(2-methoxyethylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 55258396
4-methyl-N-prop-2-enylpiperidine-1-sulfonamide
CID 60728428
2-methoxy-N-[(1-prop-2-enylpiperidin-4-yl)methyl]ethanamine
CID 62592061
N-(3-aminopropyl)-N-(2-methoxyethyl)-4-methylpiperidine-1-sulfonamide
CID 63287191
N,N-diethyl-4-[(2-methoxyethylamino)methyl]piperidine-1-sulfonamide
CID 63879277
4-(aminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 65778588
4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 65779435
N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 65779616
N-(2-methoxyethyl)-N-methyl-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 65779817
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 65780008
4-(aminomethyl)-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 65783613

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide (CID 103340728) is 4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide is C=CCN(CCOC)S(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
The InChIKey is HYZRAQXTOOLJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-3-6-14(9-10-18-2)19(16,17)15-7-4-12(11-13)5-8-15/h3,12H,1,4-11,13H2,2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide?
4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of 0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide is sourced from PubChem (CID 103340728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).