N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide

C7H16N2O3S — CID 115902795

IUPACN-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C7H16N2O3S/c1-2-8-13(11,12)9-4-3-7(5-9)6-10/h7-8,10H,2-6H2,1H3
InChIKeyFVSOOEIKMFLLST-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.85
Rot. Bonds4

About N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide

N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide (PubChem CID 115902795) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide
PubChem CID115902795
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C7H16N2O3S/c1-2-8-13(11,12)9-4-3-7(5-9)6-10/h7-8,10H,2-6H2,1H3
InChIKeyFVSOOEIKMFLLST-UHFFFAOYSA-N
XLogP-0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide (CID 115902795) is N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The InChIKey is FVSOOEIKMFLLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-2-8-13(11,12)9-4-3-7(5-9)6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide?
N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(hydroxymethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 115902795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).