3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide

C9H20N2O3S — CID 115969837

IUPAC3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C9H20N2O3S/c1-8(2)10-15(13,14)11-5-3-9(7-11)4-6-12/h8-10,12H,3-7H2,1-2H3
InChIKeyUUBGLLJFUCINGH-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.07
Rot. Bonds5

About 3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide

3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 115969837) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID115969837
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C9H20N2O3S/c1-8(2)10-15(13,14)11-5-3-9(7-11)4-6-12/h8-10,12H,3-7H2,1-2H3
InChIKeyUUBGLLJFUCINGH-UHFFFAOYSA-N
XLogP-0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.07
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
Ethanol;2-pyrrolidin-3-ylethanol
CID 143016324
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide
CID 61247379
N-(4-hydroxy-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66106271
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-1-sulfonamide
CID 79254989
N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide
CID 79255507
N-(5-hydroxypentan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 80290969
N-(5-hydroxypentan-2-yl)pyrrolidine-1-sulfonamide
CID 80291475
N-(2-ethyl-4-hydroxybutyl)pyrrolidine-1-sulfonamide
CID 80307815
1-Hydroxy-3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pentane
CID 80307970
3-[(Dipropylsulfamoylamino)methyl]-1-hydroxypentane
CID 80308811
N-(2-ethyl-4-hydroxybutyl)-2-methylpiperidine-1-sulfonamide
CID 80309058

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 115969837) is 3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is UUBGLLJFUCINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(2)10-15(13,14)11-5-3-9(7-11)4-6-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 115969837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).