N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide

C14H30N2O2S — CID 131947945

IUPACN-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)N1CCC(CC)(CC)C1
InChIInChI=1S/C14H30N2O2S/c1-5-10-19(17,18)15-11-13(4)16-9-8-14(6-2,7-3)12-16/h13,15H,5-12H2,1-4H3
InChIKeyJXSGMMWAZYLQNA-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.22
Rot. Bonds8

About N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide

N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide (PubChem CID 131947945) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide
PubChem CID131947945
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)N1CCC(CC)(CC)C1
InChIInChI=1S/C14H30N2O2S/c1-5-10-19(17,18)15-11-13(4)16-9-8-14(6-2,7-3)12-16/h13,15H,5-12H2,1-4H3
InChIKeyJXSGMMWAZYLQNA-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide (CID 131947945) is N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)N1CCC(CC)(CC)C1.
What is the InChIKey of N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide?
The InChIKey is JXSGMMWAZYLQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-10-19(17,18)15-11-13(4)16-9-8-14(6-2,7-3)12-16/h13,15H,5-12H2,1-4H3.
What are the key properties of N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide?
N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 131947945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).