1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate

C11H20N2O4S — CID 28784443

IUPAC1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate
SMILESO=C([O-])C1([NH2+]S(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C11H20N2O4S/c14-10(15)11(6-2-1-3-7-11)12-18(16,17)13-8-4-5-9-13/h12H,1-9H2,(H,14,15)
InChIKeyGZOHIPHWRVCJSI-UHFFFAOYSA-N
MW276.36 g/mol
LogP-1.66
Rot. Bonds4

About 1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate

1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate (PubChem CID 28784443) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate
PubChem CID28784443
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate
SMILESO=C([O-])C1([NH2+]S(=O)(=O)N2CCCC2)CCCCC1
InChIInChI=1S/C11H20N2O4S/c14-10(15)11(6-2-1-3-7-11)12-18(16,17)13-8-4-5-9-13/h12H,1-9H2,(H,14,15)
InChIKeyGZOHIPHWRVCJSI-UHFFFAOYSA-N
XLogP-1.66
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate?
The IUPAC name of 1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate (CID 28784443) is 1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate?
The canonical SMILES for 1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate is O=C([O-])C1([NH2+]S(=O)(=O)N2CCCC2)CCCCC1.
What is the InChIKey of 1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate?
The InChIKey is GZOHIPHWRVCJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c14-10(15)11(6-2-1-3-7-11)12-18(16,17)13-8-4-5-9-13/h12H,1-9H2,(H,14,15).
What are the key properties of 1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate?
1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate has a molecular weight of 276.36 g/mol, XLogP of -1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-1-ylsulfonylazaniumyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 28784443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).