N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide

C8H18N2O3S — CID 115744986

IUPACN-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C8H18N2O3S/c1-2-9-14(12,13)10-5-3-8(7-10)4-6-11/h8-9,11H,2-7H2,1H3
InChIKeyARCOPPXRAZMIKX-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.46
Rot. Bonds5

About N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide

N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide (PubChem CID 115744986) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
PubChem CID115744986
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C8H18N2O3S/c1-2-9-14(12,13)10-5-3-8(7-10)4-6-11/h8-9,11H,2-7H2,1H3
InChIKeyARCOPPXRAZMIKX-UHFFFAOYSA-N
XLogP-0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide (CID 115744986) is N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
The InChIKey is ARCOPPXRAZMIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-2-9-14(12,13)10-5-3-8(7-10)4-6-11/h8-9,11H,2-7H2,1H3.
What are the key properties of N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide?
N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 115744986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).