3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide

C10H22N2O3S — CID 114815820

IUPAC3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H22N2O3S/c1-9(2)7-11-16(14,15)12-5-3-10(8-12)4-6-13/h9-11,13H,3-8H2,1-2H3
InChIKeyZARCGVBQZLZKLH-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.18
Rot. Bonds6

About 3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide

3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide (PubChem CID 114815820) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
PubChem CID114815820
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H22N2O3S/c1-9(2)7-11-16(14,15)12-5-3-10(8-12)4-6-13/h9-11,13H,3-8H2,1-2H3
InChIKeyZARCGVBQZLZKLH-UHFFFAOYSA-N
XLogP0.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.18
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-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide (CID 114815820) is 3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide is CC(C)CNS(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The InChIKey is ZARCGVBQZLZKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(2)7-11-16(14,15)12-5-3-10(8-12)4-6-13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.18, 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-(2-methylpropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114815820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).