(1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide

C7H14N2O3S — CID 130645021

IUPAC(1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide
SMILESCNS(=O)(=O)N1CC[C@@H]2C[C@]2(O)C1
InChIInChI=1S/C7H14N2O3S/c1-8-13(11,12)9-3-2-6-4-7(6,10)5-9/h6,8,10H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyPEXLRXYFCKOXGB-RQJHMYQMSA-N
MW206.27 g/mol
LogP-1.09
Rot. Bonds2

About (1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide

(1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide (PubChem CID 130645021) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is (1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide.

Molecular Properties

Compound Name(1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide
PubChem CID130645021
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name(1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide
SMILESCNS(=O)(=O)N1CC[C@@H]2C[C@]2(O)C1
InChIInChI=1S/C7H14N2O3S/c1-8-13(11,12)9-3-2-6-4-7(6,10)5-9/h6,8,10H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyPEXLRXYFCKOXGB-RQJHMYQMSA-N
XLogP-1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide 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 (1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide?
The IUPAC name of (1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide (CID 130645021) is (1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide.
What is the SMILES notation for (1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide?
The canonical SMILES for (1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide is CNS(=O)(=O)N1CC[C@@H]2C[C@]2(O)C1.
What is the InChIKey of (1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide?
The InChIKey is PEXLRXYFCKOXGB-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-8-13(11,12)9-3-2-6-4-7(6,10)5-9/h6,8,10H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide?
(1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide has a molecular weight of 206.27 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-1-hydroxy-N-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide is sourced from PubChem (CID 130645021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).