1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide

C7H14N2O4S — CID 79589293

IUPAC1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)CCO
InChIInChI=1S/C7H14N2O4S/c8-7(11)6-2-1-3-9(6)14(12,13)5-4-10/h6,10H,1-5H2,(H2,8,11)
InChIKeyNJFKXWXQKGIBFC-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.74
Rot. Bonds4

About 1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide

1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 79589293) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID79589293
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)CCO
InChIInChI=1S/C7H14N2O4S/c8-7(11)6-2-1-3-9(6)14(12,13)5-4-10/h6,10H,1-5H2,(H2,8,11)
InChIKeyNJFKXWXQKGIBFC-UHFFFAOYSA-N
XLogP-1.74
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-fluoro-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide
CID 154735432
2-(Pyrrolidine-2-carbonylamino)ethanesulfonic acid
CID 355555
1-Ethylsulfonylpyrrolidine-2-carboxamide
CID 16313969
(2S)-1-ethylsulfonylpyrrolidine-2-carboxamide
CID 9467772
(2R)-1-ethylsulfonylpyrrolidine-2-carboxamide
CID 9467773
2-[[(2S)-pyrrolidine-2-carbonyl]amino]ethanesulfonic acid
CID 15929426
1-Propan-2-ylsulfonylpyrrolidine-2-carboxamide
CID 64586527
(2S)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide
CID 122663033
(2R)-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide
CID 122663034
(3R,5S)-5-carbamoylpyrrolidine-3-sulfonic acid
CID 140895475
(3S,5S)-5-carbamoylpyrrolidine-3-sulfonic acid
CID 140895533
(3S,5S)-5-(methylcarbamoyl)pyrrolidine-3-sulfonic acid
CID 140895541

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide (CID 79589293) is 1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)CCO.
What is the InChIKey of 1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is NJFKXWXQKGIBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c8-7(11)6-2-1-3-9(6)14(12,13)5-4-10/h6,10H,1-5H2,(H2,8,11).
What are the key properties of 1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide?
1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 222.27 g/mol, XLogP of -1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 79589293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).