3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide

C8H18N2O3S — CID 103357537

IUPAC3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C8H18N2O3S/c1-3-5-9-14(12,13)10-6-4-8(2,11)7-10/h9,11H,3-7H2,1-2H3
InChIKeyCUZIXYIKVDAAKR-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.31
Rot. Bonds4

About 3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide

3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide (PubChem CID 103357537) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide
PubChem CID103357537
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C8H18N2O3S/c1-3-5-9-14(12,13)10-6-4-8(2,11)7-10/h9,11H,3-7H2,1-2H3
InChIKeyCUZIXYIKVDAAKR-UHFFFAOYSA-N
XLogP-0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide (CID 103357537) is 3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide is CCCNS(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of 3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide?
The InChIKey is CUZIXYIKVDAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-3-5-9-14(12,13)10-6-4-8(2,11)7-10/h9,11H,3-7H2,1-2H3.
What are the key properties of 3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide?
3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N-propylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 103357537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).