N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide

C11H25N3O2S — CID 55243534

IUPACN-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide
SMILESCCC(CC)N(CCN)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H25N3O2S/c1-3-11(4-2)14(10-7-12)17(15,16)13-8-5-6-9-13/h11H,3-10,12H2,1-2H3
InChIKeyWWMKYKZLPJXTEM-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.78
Rot. Bonds7

About N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide

N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide (PubChem CID 55243534) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide
PubChem CID55243534
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide
SMILESCCC(CC)N(CCN)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H25N3O2S/c1-3-11(4-2)14(10-7-12)17(15,16)13-8-5-6-9-13/h11H,3-10,12H2,1-2H3
InChIKeyWWMKYKZLPJXTEM-UHFFFAOYSA-N
XLogP0.78
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide (CID 55243534) is N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide is CCC(CC)N(CCN)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide?
The InChIKey is WWMKYKZLPJXTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-11(4-2)14(10-7-12)17(15,16)13-8-5-6-9-13/h11H,3-10,12H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide?
N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-pentan-3-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 55243534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).