N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide

C14H31N3O3S — CID 106078679

IUPACN-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCN(S(=O)(=O)NCC(C)OCC)CC1
InChIInChI=1S/C14H31N3O3S/c1-4-8-15-12-14-6-9-17(10-7-14)21(18,19)16-11-13(3)20-5-2/h13-16H,4-12H2,1-3H3
InChIKeyUVEYRRTWKGTTJE-UHFFFAOYSA-N
MW321.49 g/mol
LogP0.96
Rot. Bonds10

About N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide

N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106078679) has the molecular formula C14H31N3O3S and a molecular weight of 321.49 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
PubChem CID106078679
Molecular FormulaC14H31N3O3S
Molecular Weight321.49 g/mol
Exact Mass321.21
IUPAC NameN-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCN(S(=O)(=O)NCC(C)OCC)CC1
InChIInChI=1S/C14H31N3O3S/c1-4-8-15-12-14-6-9-17(10-7-14)21(18,19)16-11-13(3)20-5-2/h13-16H,4-12H2,1-3H3
InChIKeyUVEYRRTWKGTTJE-UHFFFAOYSA-N
XLogP0.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409103
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
N',N'-dimethyl-4-(propylaminomethyl)piperidine-1-sulfonohydrazide
CID 114141798
N-[2-(dimethylamino)propyl]-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106017143
4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106015942
N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 106423900
1-(2,2-diethoxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 79538536
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
(2S)-2-ethoxy-N-propylpropan-1-amine
CID 176570323
N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879144

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide (CID 106078679) is N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide is CCCNCC1CCN(S(=O)(=O)NCC(C)OCC)CC1.
What is the InChIKey of N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is UVEYRRTWKGTTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3S/c1-4-8-15-12-14-6-9-17(10-7-14)21(18,19)16-11-13(3)20-5-2/h13-16H,4-12H2,1-3H3.
What are the key properties of N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 321.49 g/mol, XLogP of 0.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106078679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).