N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide

C14H32N4O2S — CID 106094248

IUPACN-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)N1CCC(CNC)CC1
InChIInChI=1S/C14H32N4O2S/c1-4-9-17(5-2)12-8-16-21(19,20)18-10-6-14(7-11-18)13-15-3/h14-16H,4-13H2,1-3H3
InChIKeyXZKNUNQOWIPLDU-UHFFFAOYSA-N
MW320.50 g/mol
LogP0.48
Rot. Bonds10

About N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide

N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106094248) has the molecular formula C14H32N4O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106094248
Molecular FormulaC14H32N4O2S
Molecular Weight320.50 g/mol
Exact Mass320.22
IUPAC NameN-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCCN(CC)CCNS(=O)(=O)N1CCC(CNC)CC1
InChIInChI=1S/C14H32N4O2S/c1-4-9-17(5-2)12-8-16-21(19,20)18-10-6-14(7-11-18)13-15-3/h14-16H,4-13H2,1-3H3
InChIKeyXZKNUNQOWIPLDU-UHFFFAOYSA-N
XLogP0.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(propyl)amino]ethyl]piperazine-1-sulfonamide
CID 114134192
N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 106014030
4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide
CID 106055915
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106106639
4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106064163

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 106094248) is N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide is CCCN(CC)CCNS(=O)(=O)N1CCC(CNC)CC1.
What is the InChIKey of N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is XZKNUNQOWIPLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2S/c1-4-9-17(5-2)12-8-16-21(19,20)18-10-6-14(7-11-18)13-15-3/h14-16H,4-13H2,1-3H3.
What are the key properties of N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 0.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106094248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).