carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate

C6H12N2O5S — CID 156540605

IUPACcarbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate
SMILESCC1(O)CCN(S(=O)(=O)OC(N)=O)C1
InChIInChI=1S/C6H12N2O5S/c1-6(10)2-3-8(4-6)14(11,12)13-5(7)9/h10H,2-4H2,1H3,(H2,7,9)
InChIKeyUKCCRMBWRFMVMR-UHFFFAOYSA-N
MW224.24 g/mol
LogP-1.22
Rot. Bonds2

About carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate

carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate (PubChem CID 156540605) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate.

Molecular Properties

Compound Namecarbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate
PubChem CID156540605
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Namecarbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate
SMILESCC1(O)CCN(S(=O)(=O)OC(N)=O)C1
InChIInChI=1S/C6H12N2O5S/c1-6(10)2-3-8(4-6)14(11,12)13-5(7)9/h10H,2-4H2,1H3,(H2,7,9)
InChIKeyUKCCRMBWRFMVMR-UHFFFAOYSA-N
XLogP-1.22
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate?
The IUPAC name of carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate (CID 156540605) is carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate.
What is the SMILES notation for carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate?
The canonical SMILES for carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate is CC1(O)CCN(S(=O)(=O)OC(N)=O)C1.
What is the InChIKey of carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate?
The InChIKey is UKCCRMBWRFMVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S/c1-6(10)2-3-8(4-6)14(11,12)13-5(7)9/h10H,2-4H2,1H3,(H2,7,9).
What are the key properties of carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate?
carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate has a molecular weight of 224.24 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 3-hydroxy-3-methylpyrrolidine-1-sulfonate is sourced from PubChem (CID 156540605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).