3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide

C7H16N2O3S — CID 114809894

IUPAC3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C7H16N2O3S/c1-8-13(11,12)9-4-2-7(6-9)3-5-10/h7-8,10H,2-6H2,1H3
InChIKeyBJDKKCIRRPJEAP-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.85
Rot. Bonds4

About 3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide

3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 114809894) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID114809894
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C7H16N2O3S/c1-8-13(11,12)9-4-2-7(6-9)3-5-10/h7-8,10H,2-6H2,1H3
InChIKeyBJDKKCIRRPJEAP-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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Related Compounds

3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809896
Ethanol;2-pyrrolidin-3-ylethanol
CID 143016324
1-Amino-2-(1-methylpyrrolidin-3-yl)ethanol
CID 163605612
N-(4-hydroxy-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66106271
N-(2-ethyl-4-hydroxybutyl)pyrrolidine-1-sulfonamide
CID 80307815
3-[(Dipropylsulfamoylamino)methyl]-1-hydroxypentane
CID 80308811
2-(hydroxymethyl)-3-methyl-N-propylpyrrolidine-1-sulfonamide
CID 102786050
2-(hydroxymethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 102786051
N-ethyl-2-(hydroxymethyl)-3-methylpyrrolidine-1-sulfonamide
CID 102786082
2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 102786308
2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide
CID 102786527
N-(5-hydroxy-4-methylpentyl)pyrrolidine-1-sulfonamide
CID 103858969

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide (CID 114809894) is 3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide is CNS(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is BJDKKCIRRPJEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-8-13(11,12)9-4-2-7(6-9)3-5-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide?
3-(2-hydroxyethyl)-N-methylpyrrolidine-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 3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 114809894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).