2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid

C7H14N2O4S — CID 80563346

IUPAC2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC1CCNC1
InChIInChI=1S/C7H14N2O4S/c10-7(11)5-14(12,13)9-4-6-1-2-8-3-6/h6,8-9H,1-5H2,(H,10,11)
InChIKeyZJPKGFDWBDKKBD-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.40
Rot. Bonds5

About 2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid

2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid (PubChem CID 80563346) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid
PubChem CID80563346
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC1CCNC1
InChIInChI=1S/C7H14N2O4S/c10-7(11)5-14(12,13)9-4-6-1-2-8-3-6/h6,8-9H,1-5H2,(H,10,11)
InChIKeyZJPKGFDWBDKKBD-UHFFFAOYSA-N
XLogP-1.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylsulfamoyl)acetic acid
CID 28773531
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate
CID 80563588
4,4,4-trifluoro-N-(pyrrolidin-3-ylmethyl)butane-1-sulfonamide
CID 83060140
2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid
CID 61057638
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
CID 55249778
1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
CID 120721075
3-(pyrrolidin-3-ylmethylcarbamoylamino)propanoic acid
CID 117234624
3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine
CID 80563123
3-pyrrolidin-3-ylpropanoic acid
CID 12825648

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid?
The IUPAC name of 2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid (CID 80563346) is 2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid?
The canonical SMILES for 2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NCC1CCNC1.
What is the InChIKey of 2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid?
The InChIKey is ZJPKGFDWBDKKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c10-7(11)5-14(12,13)9-4-6-1-2-8-3-6/h6,8-9H,1-5H2,(H,10,11).
What are the key properties of 2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid?
2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid has a molecular weight of 222.27 g/mol, XLogP of -1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethylsulfamoyl)acetic acid is sourced from PubChem (CID 80563346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).