3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide

C9H20N2O3S — CID 114809895

IUPAC3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C9H20N2O3S/c1-2-5-10-15(13,14)11-6-3-9(8-11)4-7-12/h9-10,12H,2-8H2,1H3
InChIKeyOBHYOWYGGHZYPB-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.06
Rot. Bonds6

About 3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide

3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide (PubChem CID 114809895) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide
PubChem CID114809895
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C9H20N2O3S/c1-2-5-10-15(13,14)11-6-3-9(8-11)4-7-12/h9-10,12H,2-8H2,1H3
InChIKeyOBHYOWYGGHZYPB-UHFFFAOYSA-N
XLogP-0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809896
Ethane;2-pyrrolidin-3-ylethanol
CID 141886312
Ethanol;2-pyrrolidin-3-ylethanol
CID 143016324
1-Amino-2-(1-methylpyrrolidin-3-yl)ethanol
CID 163605612
ethane;2-[(3R)-pyrrolidin-3-yl]ethanol
CID 171508824
N-(4-hydroxy-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66106271
N-(2-ethyl-4-hydroxybutyl)pyrrolidine-1-sulfonamide
CID 80307815
3-[[[Butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxypentane
CID 80308222
3-[(Diethylsulfamoylamino)methyl]-1-hydroxypentane
CID 80308392
3-[(Dimethylsulfamoylamino)methyl]-1-hydroxypentane
CID 80308555
3-[(Dipropylsulfamoylamino)methyl]-1-hydroxypentane
CID 80308811
N-(2-ethyl-4-hydroxybutyl)piperidine-1-sulfonamide
CID 80309060

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide (CID 114809895) is 3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide is CCCNS(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide?
The InChIKey is OBHYOWYGGHZYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-2-5-10-15(13,14)11-6-3-9(8-11)4-7-12/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide?
3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 114809895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).