N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide

C12H23N3O2S — CID 54983626

IUPACN-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H23N3O2S/c1-4-14(10-12(3)8-13)18(16,17)15-7-5-6-11(2)9-15/h11-12H,4-7,9-10H2,1-3H3
InChIKeyLJAHPYIVQKJZTD-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.44
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide

N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide (PubChem CID 54983626) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
PubChem CID54983626
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H23N3O2S/c1-4-14(10-12(3)8-13)18(16,17)15-7-5-6-11(2)9-15/h11-12H,4-7,9-10H2,1-3H3
InChIKeyLJAHPYIVQKJZTD-UHFFFAOYSA-N
XLogP1.44
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide (CID 54983626) is N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide is CCN(CC(C)C#N)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide?
The InChIKey is LJAHPYIVQKJZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-14(10-12(3)8-13)18(16,17)15-7-5-6-11(2)9-15/h11-12H,4-7,9-10H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide?
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 54983626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).