(3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide

C6H14N2O3S — CID 103834133

IUPAC(3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C6H14N2O3S/c1-2-7-12(10,11)8-4-3-6(9)5-8/h6-7,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyWJBATSAMFVFORM-LURJTMIESA-N
MW194.26 g/mol
LogP-1.09
Rot. Bonds3

About (3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide

(3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide (PubChem CID 103834133) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is (3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide
PubChem CID103834133
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name(3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CC[C@H](O)C1
InChIInChI=1S/C6H14N2O3S/c1-2-7-12(10,11)8-4-3-6(9)5-8/h6-7,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyWJBATSAMFVFORM-LURJTMIESA-N
XLogP-1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide?
The IUPAC name of (3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide (CID 103834133) is (3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide.
What is the SMILES notation for (3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide?
The canonical SMILES for (3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide is CCNS(=O)(=O)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide?
The InChIKey is WJBATSAMFVFORM-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-2-7-12(10,11)8-4-3-6(9)5-8/h6-7,9H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide?
(3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide has a molecular weight of 194.26 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-3-hydroxypyrrolidine-1-sulfonamide is sourced from PubChem (CID 103834133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).