2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid

C8H16N2O4S — CID 114794124

IUPAC2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCCC1CCCN1
InChIInChI=1S/C8H16N2O4S/c11-8(12)6-15(13,14)10-5-3-7-2-1-4-9-7/h7,9-10H,1-6H2,(H,11,12)
InChIKeyRDVPTYBGSMRMKN-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.87
Rot. Bonds6

About 2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid

2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid (PubChem CID 114794124) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
PubChem CID114794124
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCCC1CCCN1
InChIInChI=1S/C8H16N2O4S/c11-8(12)6-15(13,14)10-5-3-7-2-1-4-9-7/h7,9-10H,1-6H2,(H,11,12)
InChIKeyRDVPTYBGSMRMKN-UHFFFAOYSA-N
XLogP-0.87
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972503
3-[2-[(2S)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972731
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745
2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120723401
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide
CID 104972385
1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972619
1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 54471694
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-(2-pyrrolidin-2-ylethyl)azepane-1-sulfonamide
CID 114794249

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid?
The IUPAC name of 2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid (CID 114794124) is 2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid?
The canonical SMILES for 2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NCCC1CCCN1.
What is the InChIKey of 2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid?
The InChIKey is RDVPTYBGSMRMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c11-8(12)6-15(13,14)10-5-3-7-2-1-4-9-7/h7,9-10H,1-6H2,(H,11,12).
What are the key properties of 2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid?
2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid has a molecular weight of 236.29 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid is sourced from PubChem (CID 114794124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).