2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide

C14H29N3O3S — CID 81063874

IUPAC2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)N1CCCCC1CNC1CC1
InChIInChI=1S/C14H29N3O3S/c1-3-20-11-10-16(2)21(18,19)17-9-5-4-6-14(17)12-15-13-7-8-13/h13-15H,3-12H2,1-2H3
InChIKeyWTXGAZOZXLIHJX-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.81
Rot. Bonds9

About 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide

2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide (PubChem CID 81063874) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
PubChem CID81063874
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)N1CCCCC1CNC1CC1
InChIInChI=1S/C14H29N3O3S/c1-3-20-11-10-16(2)21(18,19)17-9-5-4-6-14(17)12-15-13-7-8-13/h13-15H,3-12H2,1-2H3
InChIKeyWTXGAZOZXLIHJX-UHFFFAOYSA-N
XLogP0.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81064046
2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide
CID 106032299
2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide
CID 106074286
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine
CID 63878433
N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide
CID 83045047
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
3-amino-N-[[1-[ethyl(methyl)sulfamoyl]piperidin-2-yl]methyl]propanamide
CID 120584445
3-(chloromethyl)-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81063896
N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide
CID 116634407
N-(2-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271
N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 102998641
methyl 3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 103834182

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide (CID 81063874) is 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide is CCOCCN(C)S(=O)(=O)N1CCCCC1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
The InChIKey is WTXGAZOZXLIHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-3-20-11-10-16(2)21(18,19)17-9-5-4-6-14(17)12-15-13-7-8-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide?
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 81063874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).