(2-oxopyrrolidin-1-yl)sulfonylcarbamic acid

C5H8N2O5S — CID 174230688

IUPAC(2-oxopyrrolidin-1-yl)sulfonylcarbamic acid
SMILESO=C(O)NS(=O)(=O)N1CCCC1=O
InChIInChI=1S/C5H8N2O5S/c8-4-2-1-3-7(4)13(11,12)6-5(9)10/h6H,1-3H2,(H,9,10)
InChIKeyZSKGJOVXBSQMPH-UHFFFAOYSA-N
MW208.19 g/mol
LogP-0.88
Rot. Bonds2

About (2-oxopyrrolidin-1-yl)sulfonylcarbamic acid

(2-oxopyrrolidin-1-yl)sulfonylcarbamic acid (PubChem CID 174230688) has the molecular formula C5H8N2O5S and a molecular weight of 208.19 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl)sulfonylcarbamic acid.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl)sulfonylcarbamic acid
PubChem CID174230688
Molecular FormulaC5H8N2O5S
Molecular Weight208.19 g/mol
Exact Mass208.02
IUPAC Name(2-oxopyrrolidin-1-yl)sulfonylcarbamic acid
SMILESO=C(O)NS(=O)(=O)N1CCCC1=O
InChIInChI=1S/C5H8N2O5S/c8-4-2-1-3-7(4)13(11,12)6-5(9)10/h6H,1-3H2,(H,9,10)
InChIKeyZSKGJOVXBSQMPH-UHFFFAOYSA-N
XLogP-0.88
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl)sulfonylcarbamic acid?
The IUPAC name of (2-oxopyrrolidin-1-yl)sulfonylcarbamic acid (CID 174230688) is (2-oxopyrrolidin-1-yl)sulfonylcarbamic acid.
What is the SMILES notation for (2-oxopyrrolidin-1-yl)sulfonylcarbamic acid?
The canonical SMILES for (2-oxopyrrolidin-1-yl)sulfonylcarbamic acid is O=C(O)NS(=O)(=O)N1CCCC1=O.
What is the InChIKey of (2-oxopyrrolidin-1-yl)sulfonylcarbamic acid?
The InChIKey is ZSKGJOVXBSQMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O5S/c8-4-2-1-3-7(4)13(11,12)6-5(9)10/h6H,1-3H2,(H,9,10).
What are the key properties of (2-oxopyrrolidin-1-yl)sulfonylcarbamic acid?
(2-oxopyrrolidin-1-yl)sulfonylcarbamic acid has a molecular weight of 208.19 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl)sulfonylcarbamic acid is sourced from PubChem (CID 174230688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).