3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide

C12H26N4O3S — CID 120584445

IUPAC3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide
SMILESCCN(C)S(=O)(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C12H26N4O3S/c1-3-15(2)20(18,19)16-9-5-4-6-11(16)10-14-12(17)7-8-13/h11H,3-10,13H2,1-2H3,(H,14,17)
InChIKeyYYPHXBNLGACVGO-UHFFFAOYSA-N
MW306.43 g/mol
LogP-0.50
Rot. Bonds7

About 3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120584445) has the molecular formula C12H26N4O3S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide
PubChem CID120584445
Molecular FormulaC12H26N4O3S
Molecular Weight306.43 g/mol
Exact Mass306.17
IUPAC Name3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide
SMILESCCN(C)S(=O)(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C12H26N4O3S/c1-3-15(2)20(18,19)16-9-5-4-6-11(16)10-14-12(17)7-8-13/h11H,3-10,13H2,1-2H3,(H,14,17)
InChIKeyYYPHXBNLGACVGO-UHFFFAOYSA-N
XLogP-0.50
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584411
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763
3-amino-N-[[1-(3,4-diethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584507
3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584705
3-amino-N-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584695
3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584768
3-amino-N-[[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584439
3-amino-N-[[1-[2-(ethylamino)-2-oxoethyl]piperidin-2-yl]methyl]propanamide
CID 120967162
3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584572
3-amino-N-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]propanamide
CID 120584541
3-amino-N-[[1-(2-cyano-3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584502
methyl 3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 120584596

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide (CID 120584445) is 3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide is CCN(C)S(=O)(=O)N1CCCCC1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is YYPHXBNLGACVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3S/c1-3-15(2)20(18,19)16-9-5-4-6-11(16)10-14-12(17)7-8-13/h11H,3-10,13H2,1-2H3,(H,14,17).
What are the key properties of 3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 306.43 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120584445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).