N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide

C10H22N2O3S — CID 103871491

IUPACN-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H22N2O3S/c1-4-5-7-11(3)16(14,15)12-8-6-10(2,13)9-12/h13H,4-9H2,1-3H3
InChIKeyJPKFVOSWWHLCGD-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.42
Rot. Bonds5

About N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide

N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide (PubChem CID 103871491) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide
PubChem CID103871491
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C10H22N2O3S/c1-4-5-7-11(3)16(14,15)12-8-6-10(2,13)9-12/h13H,4-9H2,1-3H3
InChIKeyJPKFVOSWWHLCGD-UHFFFAOYSA-N
XLogP0.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide (CID 103871491) is N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide is CCCCN(C)S(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is JPKFVOSWWHLCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-4-5-7-11(3)16(14,15)12-8-6-10(2,13)9-12/h13H,4-9H2,1-3H3.
What are the key properties of N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide?
N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 103871491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).