(2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide

C8H18N2O3S — CID 71911371

IUPAC(2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C8H18N2O3S/c1-3-9(2)14(12,13)10-6-4-5-8(10)7-11/h8,11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyLGFIETVWUNDZTM-QMMMGPOBSA-N
MW222.31 g/mol
LogP-0.36
Rot. Bonds4

About (2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide

(2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 71911371) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is (2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID71911371
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name(2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCC[C@H]1CO
InChIInChI=1S/C8H18N2O3S/c1-3-9(2)14(12,13)10-6-4-5-8(10)7-11/h8,11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyLGFIETVWUNDZTM-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide (CID 71911371) is (2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide is CCN(C)S(=O)(=O)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is LGFIETVWUNDZTM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-3-9(2)14(12,13)10-6-4-5-8(10)7-11/h8,11H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide?
(2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-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 (2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 71911371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).