3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide

C11H24N2O3S — CID 103871366

IUPAC3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C11H24N2O3S/c1-4-7-12(8-5-2)17(15,16)13-9-6-11(3,14)10-13/h14H,4-10H2,1-3H3
InChIKeyPEYHTHXTCUIGSP-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.81
Rot. Bonds6

About 3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide

3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide (PubChem CID 103871366) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide
PubChem CID103871366
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C11H24N2O3S/c1-4-7-12(8-5-2)17(15,16)13-9-6-11(3,14)10-13/h14H,4-10H2,1-3H3
InChIKeyPEYHTHXTCUIGSP-UHFFFAOYSA-N
XLogP0.81
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide (CID 103871366) is 3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of 3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide?
The InChIKey is PEYHTHXTCUIGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-7-12(8-5-2)17(15,16)13-9-6-11(3,14)10-13/h14H,4-10H2,1-3H3.
What are the key properties of 3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide?
3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N,N-dipropylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 103871366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).