N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide

C11H25N3O2S — CID 43606641

IUPACN-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide
SMILESCCNCCCNS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H25N3O2S/c1-3-12-8-6-9-13-17(15,16)14-10-5-4-7-11(14)2/h11-13H,3-10H2,1-2H3
InChIKeyVIQYQQNXGNUYPU-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.69
Rot. Bonds7

About N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide

N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 43606641) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide
PubChem CID43606641
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide
SMILESCCNCCCNS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H25N3O2S/c1-3-12-8-6-9-13-17(15,16)14-10-5-4-7-11(14)2/h11-13H,3-10H2,1-2H3
InChIKeyVIQYQQNXGNUYPU-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide (CID 43606641) is N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide is CCNCCCNS(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is VIQYQQNXGNUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-12-8-6-9-13-17(15,16)14-10-5-4-7-11(14)2/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide?
N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43606641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).