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

C8H18N2O3S — CID 103990799

IUPACN-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C8H18N2O3S/c1-3-9-14(12,13)10-5-4-8(6-10)7(2)11/h7-9,11H,3-6H2,1-2H3
InChIKeyYTEHXDQFCKRRFZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.46
Rot. Bonds4

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

N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide (PubChem CID 103990799) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide
PubChem CID103990799
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C8H18N2O3S/c1-3-9-14(12,13)10-5-4-8(6-10)7(2)11/h7-9,11H,3-6H2,1-2H3
InChIKeyYTEHXDQFCKRRFZ-UHFFFAOYSA-N
XLogP-0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809756
4-(2-Aminoethyl)-1-ethylpyrrolidin-3-ol
CID 130224977
(1S)-1-[(3S)-pyrrolidin-3-yl]ethanol;sulfane
CID 160824434
N-(2-cyclopropyl-2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 63298450
N-(3-hydroxybutyl)pyrrolidine-1-sulfonamide
CID 64911022
N-(3-hydroxybutyl)-4-methylpiperidine-1-sulfonamide
CID 64913317
N-(3-hydroxy-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 65034393
1-[(Dipropylsulfamoylamino)methyl]-2-hydroxycyclopentane
CID 65832689
N-[(2-hydroxycyclopentyl)methyl]pyrrolidine-1-sulfonamide
CID 65835500
N-[(3-hydroxycyclobutyl)methyl]-N-methylpyrrolidine-1-sulfonamide
CID 65997359
1-[[[Butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxycyclobutane
CID 66004612
N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide
CID 66005897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide (CID 103990799) is N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(C(C)O)C1.
What is the InChIKey of N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide?
The InChIKey is YTEHXDQFCKRRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-3-9-14(12,13)10-5-4-8(6-10)7(2)11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide?
N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 103990799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).