N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide

C8H18N2O3S — CID 102786082

IUPACN-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C8H18N2O3S/c1-3-9-14(12,13)10-5-4-7(2)8(10)6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyQHKSGGYNAQBTSG-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.46
Rot. Bonds4

About N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide

N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide (PubChem CID 102786082) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide
PubChem CID102786082
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C8H18N2O3S/c1-3-9-14(12,13)10-5-4-7(2)8(10)6-11/h7-9,11H,3-6H2,1-2H3
InChIKeyQHKSGGYNAQBTSG-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

(2S)-N-ethyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 71911371
(2R)-N-(cyclopropylmethyl)-2-(hydroxymethyl)-N-propylpyrrolidine-1-sulfonamide
CID 97239252
2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 113736414
2-(Dipropylsulfamoylamino)-1-hydroxy-4-methylpentane
CID 61246970
N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 61247377
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide
CID 61247379
2-(hydroxymethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
CID 61408971
[1-(4-Methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409018
[1-(3,5-Dimethylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409024
N-butyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 61409068
[1-(3-Methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409154
N,N-diethyl-2-(hydroxymethyl)pyrrolidine-1-sulfonamide
CID 61409291

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide (CID 102786082) is N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(C)C1CO.
What is the InChIKey of N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide?
The InChIKey is QHKSGGYNAQBTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-3-9-14(12,13)10-5-4-7(2)8(10)6-11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide?
N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-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-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 102786082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).