N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide

C7H16N2O3S — CID 115754042

IUPACN-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C7H16N2O3S/c1-2-8-13(11,12)9-5-3-4-7(9)6-10/h7-8,10H,2-6H2,1H3
InChIKeyXTHYUXCKFPDDQF-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.70
Rot. Bonds4

About N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide

N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide (PubChem CID 115754042) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
PubChem CID115754042
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCCC1CO
InChIInChI=1S/C7H16N2O3S/c1-2-8-13(11,12)9-5-3-4-7(9)6-10/h7-8,10H,2-6H2,1H3
InChIKeyXTHYUXCKFPDDQF-UHFFFAOYSA-N
XLogP-0.70
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 ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid
CID 114805816
N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 104538446
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652
N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide
CID 106014558
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
[(2R)-1-(2-methylpentylsulfonyl)pyrrolidin-2-yl]methanol
CID 111439868
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
[(2R)-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 66261990
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide
CID 114815362
[1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409018

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide (CID 115754042) is N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide is CCNS(=O)(=O)N1CCCC1CO.
What is the InChIKey of N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
The InChIKey is XTHYUXCKFPDDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-2-8-13(11,12)9-5-3-4-7(9)6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide?
N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 115754042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).