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

C9H20N2O3S — CID 103990802

IUPAC3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C9H20N2O3S/c1-7(2)10-15(13,14)11-5-4-9(6-11)8(3)12/h7-10,12H,4-6H2,1-3H3
InChIKeyZAGGLMNOYDXACO-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.07
Rot. Bonds4

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

3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 103990802) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID103990802
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C9H20N2O3S/c1-7(2)10-15(13,14)11-5-4-9(6-11)8(3)12/h7-10,12H,4-6H2,1-3H3
InChIKeyZAGGLMNOYDXACO-UHFFFAOYSA-N
XLogP-0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809756
4-[2-(Methylamino)ethyl]-1-propan-2-ylpyrrolidin-3-ol
CID 130191636
4-(2-Aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 130204198
N-(3-hydroxycyclobutyl)-4-methylpiperidine-1-sulfonamide
CID 65970693
N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide
CID 66005897
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-(2-ethyl-4-hydroxybutyl)pyrrolidine-1-sulfonamide
CID 80307815
N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide
CID 102778560
2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide
CID 102786050
2-(hydroxymethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 102786051

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 103990802) is 3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCC(C(C)O)C1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is ZAGGLMNOYDXACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7(2)10-15(13,14)11-5-4-9(6-11)8(3)12/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide?
3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 103990802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).