3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide

C11H24N2O3S — CID 55065798

IUPAC3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C11H24N2O3S/c1-3-6-12(7-4-2)17(15,16)13-8-5-11(9-13)10-14/h11,14H,3-10H2,1-2H3
InChIKeyKRPLAKZTONLAST-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.67
Rot. Bonds7

About 3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide

3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide (PubChem CID 55065798) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
PubChem CID55065798
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C11H24N2O3S/c1-3-6-12(7-4-2)17(15,16)13-8-5-11(9-13)10-14/h11,14H,3-10H2,1-2H3
InChIKeyKRPLAKZTONLAST-UHFFFAOYSA-N
XLogP0.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide (CID 55065798) is 3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide?
The InChIKey is KRPLAKZTONLAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-6-12(7-4-2)17(15,16)13-8-5-11(9-13)10-14/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide?
3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 55065798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).