(3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide

C8H18N2O3S — CID 79031251

IUPAC(3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C8H18N2O3S/c1-3-9(4-2)14(12,13)10-6-5-8(11)7-10/h8,11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyUWSUQDSPWPYVDJ-QMMMGPOBSA-N
MW222.31 g/mol
LogP-0.36
Rot. Bonds4

About (3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide

(3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide (PubChem CID 79031251) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is (3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide
PubChem CID79031251
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name(3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C8H18N2O3S/c1-3-9(4-2)14(12,13)10-6-5-8(11)7-10/h8,11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyUWSUQDSPWPYVDJ-QMMMGPOBSA-N
XLogP-0.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,N-diethyl-3-hydroxypiperidine-1-sulfonamide
CID 107225076
N,N-diethyl-3-hydroxyazetidine-1-sulfonamide
CID 63106993
N,N-diethyl-4-hydroxy-3-methylpiperidine-1-sulfonamide
CID 114501631
1-(diethylsulfamoyl)piperidine-3,4-dicarboxylic acid
CID 115917661
3-hydroxy-N,N-dipropylpiperidine-1-sulfonamide
CID 43502985
3-hydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 62917299
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide (CID 79031251) is (3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide?
The InChIKey is UWSUQDSPWPYVDJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-3-9(4-2)14(12,13)10-6-5-8(11)7-10/h8,11H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide?
(3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide is sourced from PubChem (CID 79031251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).