2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide

C13H29N3O2S — CID 106046357

IUPAC2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
SMILESCCCC(C)NS(=O)(=O)N1CCCCC1CNCC
InChIInChI=1S/C13H29N3O2S/c1-4-8-12(3)15-19(17,18)16-10-7-6-9-13(16)11-14-5-2/h12-15H,4-11H2,1-3H3
InChIKeyXEZSKPOKIWEVTP-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.47
Rot. Bonds8

About 2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide

2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide (PubChem CID 106046357) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
PubChem CID106046357
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
SMILESCCCC(C)NS(=O)(=O)N1CCCCC1CNCC
InChIInChI=1S/C13H29N3O2S/c1-4-8-12(3)15-19(17,18)16-10-7-6-9-13(16)11-14-5-2/h12-15H,4-11H2,1-3H3
InChIKeyXEZSKPOKIWEVTP-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide
CID 106068725
N-(3,3-dimethylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106079132
1-(pentan-2-ylsulfamoyl)piperidine-2-carboxylic acid
CID 60859071
N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106080313
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 115562927
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide
CID 106080127
N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106083879
2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072179
2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078074

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide (CID 106046357) is 2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide is CCCC(C)NS(=O)(=O)N1CCCCC1CNCC.
What is the InChIKey of 2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide?
The InChIKey is XEZSKPOKIWEVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-4-8-12(3)15-19(17,18)16-10-7-6-9-13(16)11-14-5-2/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide?
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 106046357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).